(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine

C32H35N3 — CID 25214114

IUPAC(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
SMILESCCn1c2ccc(CN[C@@H](C)c3ccccc3)cc2c2cc(CN[C@@H](C)c3ccccc3)ccc21
InChIInChI=1S/C32H35N3/c1-4-35-31-17-15-25(21-33-23(2)27-11-7-5-8-12-27)19-29(31)30-20-26(16-18-32(30)35)22-34-24(3)28-13-9-6-10-14-28/h5-20,23-24,33-34H,4,21-22H2,1-3H3/t23-,24-/m0/s1
InChIKeyMEKPKZZBVJXADW-ZEQRLZLVSA-N
MW461.65 g/mol
LogP7.52
Rot. Bonds9

About (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine

(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine (PubChem CID 25214114) has the molecular formula C32H35N3 and a molecular weight of 461.65 g/mol. Its IUPAC name is (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
PubChem CID25214114
Molecular FormulaC32H35N3
Molecular Weight461.65 g/mol
Exact Mass461.28
IUPAC Name(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
SMILESCCn1c2ccc(CN[C@@H](C)c3ccccc3)cc2c2cc(CN[C@@H](C)c3ccccc3)ccc21
InChIInChI=1S/C32H35N3/c1-4-35-31-17-15-25(21-33-23(2)27-11-7-5-8-12-27)19-29(31)30-20-26(16-18-32(30)35)22-34-24(3)28-13-9-6-10-14-28/h5-20,23-24,33-34H,4,21-22H2,1-3H3/t23-,24-/m0/s1
InChIKeyMEKPKZZBVJXADW-ZEQRLZLVSA-N
XLogP7.52
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine with MolForge

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 32664036
(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine
CID 45378001
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 21087524
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 58803196
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine (CID 25214114) is (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine is CCn1c2ccc(CN[C@@H](C)c3ccccc3)cc2c2cc(CN[C@@H](C)c3ccccc3)ccc21.
What is the InChIKey of (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine?
The InChIKey is MEKPKZZBVJXADW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C32H35N3/c1-4-35-31-17-15-25(21-33-23(2)27-11-7-5-8-12-27)19-29(31)30-20-26(16-18-32(30)35)22-34-24(3)28-13-9-6-10-14-28/h5-20,23-24,33-34H,4,21-22H2,1-3H3/t23-,24-/m0/s1.
What are the key properties of (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine?
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine has a molecular weight of 461.65 g/mol, XLogP of 7.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 25214114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).