3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

C17H24N2O — CID 96679696

IUPAC3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESCOc1cc(C)c2c(c1)c1c(n2CCCN)CCCC1
InChIInChI=1S/C17H24N2O/c1-12-10-13(20-2)11-15-14-6-3-4-7-16(14)19(17(12)15)9-5-8-18/h10-11H,3-9,18H2,1-2H3
InChIKeyHJGNYJMVDVUEFZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.19
Rot. Bonds4

About 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (PubChem CID 96679696) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
PubChem CID96679696
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESCOc1cc(C)c2c(c1)c1c(n2CCCN)CCCC1
InChIInChI=1S/C17H24N2O/c1-12-10-13(20-2)11-15-14-6-3-4-7-16(14)19(17(12)15)9-5-8-18/h10-11H,3-9,18H2,1-2H3
InChIKeyHJGNYJMVDVUEFZ-UHFFFAOYSA-N
XLogP3.19
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-(3-aminopropyl)-1-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946860
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 82497336
2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
CID 96680178
3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 68882263
2-(8-methoxy-5-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
CID 82500174
3-(6,8-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502021
9-(2-methoxy-2-oxoethyl)-1-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83948274
6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
CID 84742504
2-[9-[(4-chlorophenyl)methyl]-6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372507
3-(3-methoxycarbazol-9-yl)propan-1-amine
CID 153297207
4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine
CID 117372064
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The IUPAC name of 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (CID 96679696) is 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.
What is the SMILES notation for 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The canonical SMILES for 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is COc1cc(C)c2c(c1)c1c(n2CCCN)CCCC1.
What is the InChIKey of 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The InChIKey is HJGNYJMVDVUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-10-13(20-2)11-15-14-6-3-4-7-16(14)19(17(12)15)9-5-8-18/h10-11H,3-9,18H2,1-2H3.
What are the key properties of 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is sourced from PubChem (CID 96679696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).