N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C22H26N2O — CID 142505542

IUPACN-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCOc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-13-25-17-11-12-20-19(14-17)18-9-6-10-21(22(18)24-20)23-15-16-7-4-3-5-8-16/h3-5,7-8,11-12,14,21,23-24H,2,6,9-10,13,15H2,1H3
InChIKeyTZGGMKKMXMIODX-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.12
Rot. Bonds6

About N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 142505542) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID142505542
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCOc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-13-25-17-11-12-20-19(14-17)18-9-6-10-21(22(18)24-20)23-15-16-7-4-3-5-8-16/h3-5,7-8,11-12,14,21,23-24H,2,6,9-10,13,15H2,1H3
InChIKeyTZGGMKKMXMIODX-UHFFFAOYSA-N
XLogP5.12
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1381328
N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 44583602
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
N-[(4-bromophenyl)methyl]-6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 139026770
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 59014653
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287
N-(pyridin-3-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333441
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 142505542) is N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCCOc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1.
What is the InChIKey of N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is TZGGMKKMXMIODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-13-25-17-11-12-20-19(14-17)18-9-6-10-21(22(18)24-20)23-15-16-7-4-3-5-8-16/h3-5,7-8,11-12,14,21,23-24H,2,6,9-10,13,15H2,1H3.
What are the key properties of N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 334.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 142505542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).