N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine

C27H26N2 — CID 21087531

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1c2ccccc2c2cc(CNC(C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C27H26N2/c1-3-29-26-14-7-6-12-24(26)25-17-20(15-16-27(25)29)18-28-19(2)22-13-8-10-21-9-4-5-11-23(21)22/h4-17,19,28H,3,18H2,1-2H3
InChIKeyUQFKNJKMZHBOBQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.82
Rot. Bonds5

About N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine

N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 21087531) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID21087531
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCn1c2ccccc2c2cc(CNC(C)c3cccc4ccccc34)ccc21
InChIInChI=1S/C27H26N2/c1-3-29-26-14-7-6-12-24(26)25-17-20(15-16-27(25)29)18-28-19(2)22-13-8-10-21-9-4-5-11-23(21)22/h4-17,19,28H,3,18H2,1-2H3
InChIKeyUQFKNJKMZHBOBQ-UHFFFAOYSA-N
XLogP6.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(1-ethylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087504
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087525
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 32664036
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
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-naphthalen-1-ylethanamine
CID 21087523
N-[[1-ethyl-3-[(E)-3-fluorobut-2-enyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 142834106
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 58803173

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine (CID 21087531) is N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine is CCn1c2ccccc2c2cc(CNC(C)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is UQFKNJKMZHBOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-3-29-26-14-7-6-12-24(26)25-17-20(15-16-27(25)29)18-28-19(2)22-13-8-10-21-9-4-5-11-23(21)22/h4-17,19,28H,3,18H2,1-2H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine?
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 378.52 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 21087531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).