(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine

C22H23N3 — CID 45378001

IUPAC(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine
SMILESCCn1c2ccccc2c2cc(CN[C@H](C)c3ccccc3)ncc21
InChIInChI=1S/C22H23N3/c1-3-25-21-12-8-7-11-19(21)20-13-18(24-15-22(20)25)14-23-16(2)17-9-5-4-6-10-17/h4-13,15-16,23H,3,14H2,1-2H3/t16-/m1/s1
InChIKeyFAJIPICKQSGQFH-MRXNPFEDSA-N
MW329.45 g/mol
LogP5.06
Rot. Bonds5

About (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine

(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine (PubChem CID 45378001) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine
PubChem CID45378001
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine
SMILESCCn1c2ccccc2c2cc(CN[C@H](C)c3ccccc3)ncc21
InChIInChI=1S/C22H23N3/c1-3-25-21-12-8-7-11-19(21)20-13-18(24-15-22(20)25)14-23-16(2)17-9-5-4-6-10-17/h4-13,15-16,23H,3,14H2,1-2H3/t16-/m1/s1
InChIKeyFAJIPICKQSGQFH-MRXNPFEDSA-N
XLogP5.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 32664036
3-butan-2-yl-9-ethylcarbazole
CID 23520664
9-ethylpyrido[3,4-b]indole-3-carbaldehyde
CID 58443257
N-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 56640129
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483
1-benzyl-3-[(1-phenylethylamino)methyl]indole-2-carboxylic acid
CID 53207194
N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209349

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine (CID 45378001) is (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine is CCn1c2ccccc2c2cc(CN[C@H](C)c3ccccc3)ncc21.
What is the InChIKey of (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine?
The InChIKey is FAJIPICKQSGQFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3/c1-3-25-21-12-8-7-11-19(21)20-13-18(24-15-22(20)25)14-23-16(2)17-9-5-4-6-10-17/h4-13,15-16,23H,3,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine?
(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine has a molecular weight of 329.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 45378001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).