1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine

C24H26N2O — CID 90431869

IUPAC1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCn1c2ccc(C)cc2c2cc(CNCc3ccccc3OC)ccc21
InChIInChI=1S/C24H26N2O/c1-4-26-22-11-9-17(2)13-20(22)21-14-18(10-12-23(21)26)15-25-16-19-7-5-6-8-24(19)27-3/h5-14,25H,4,15-16H2,1-3H3
InChIKeyPKIOFUCNKDUKBY-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.42
Rot. Bonds6

About 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine

1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 90431869) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID90431869
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCn1c2ccc(C)cc2c2cc(CNCc3ccccc3OC)ccc21
InChIInChI=1S/C24H26N2O/c1-4-26-22-11-9-17(2)13-20(22)21-14-18(10-12-23(21)26)15-25-16-19-7-5-6-8-24(19)27-3/h5-14,25H,4,15-16H2,1-3H3
InChIKeyPKIOFUCNKDUKBY-UHFFFAOYSA-N
XLogP5.42
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 2250649
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208300
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 90431869) is 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine is CCn1c2ccc(C)cc2c2cc(CNCc3ccccc3OC)ccc21.
What is the InChIKey of 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is PKIOFUCNKDUKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-4-26-22-11-9-17(2)13-20(22)21-14-18(10-12-23(21)26)15-25-16-19-7-5-6-8-24(19)27-3/h5-14,25H,4,15-16H2,1-3H3.
What are the key properties of 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 358.49 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethyl-6-methylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 90431869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).