9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane

C23H30ClN3 — CID 171793515

IUPAC9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane
SMILESCC.Cc1ccc(Nc2ccc3c(c2)c2c(n3CCN)CCCC2)cc1Cl
InChIInChI=1S/C21H24ClN3.C2H6/c1-14-6-7-16(13-19(14)22)24-15-8-9-21-18(12-15)17-4-2-3-5-20(17)25(21)11-10-23;1-2/h6-9,12-13,24H,2-5,10-11,23H2,1H3;1-2H3
InChIKeyCUYOYTRUUKCPBU-UHFFFAOYSA-N
MW383.97 g/mol
LogP6.21
Rot. Bonds4

About 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane

9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane (PubChem CID 171793515) has the molecular formula C23H30ClN3 and a molecular weight of 383.97 g/mol. Its IUPAC name is 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane.

Molecular Properties

Compound Name9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane
PubChem CID171793515
Molecular FormulaC23H30ClN3
Molecular Weight383.97 g/mol
Exact Mass383.21
IUPAC Name9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane
SMILESCC.Cc1ccc(Nc2ccc3c(c2)c2c(n3CCN)CCCC2)cc1Cl
InChIInChI=1S/C21H24ClN3.C2H6/c1-14-6-7-16(13-19(14)22)24-15-8-9-21-18(12-15)17-4-2-3-5-20(17)25(21)11-10-23;1-2/h6-9,12-13,24H,2-5,10-11,23H2,1H3;1-2H3
InChIKeyCUYOYTRUUKCPBU-UHFFFAOYSA-N
XLogP6.21
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.97
LogP ≤ 56.21
H-Bond Donors ≤ 52
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-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine
CID 171793965
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
N-(3-chloro-4-methylphenyl)-1-methylindol-5-amine
CID 82536377
9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine
CID 171793775
(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine
CID 82048401
4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43436245
1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one
CID 130283409
2-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanamine
CID 166436443
2-(8-methoxy-5-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
CID 82500174
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 23938891
3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502019
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane?
The IUPAC name of 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane (CID 171793515) is 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane.
What is the SMILES notation for 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane?
The canonical SMILES for 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane is CC.Cc1ccc(Nc2ccc3c(c2)c2c(n3CCN)CCCC2)cc1Cl.
What is the InChIKey of 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane?
The InChIKey is CUYOYTRUUKCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3.C2H6/c1-14-6-7-16(13-19(14)22)24-15-8-9-21-18(12-15)17-4-2-3-5-20(17)25(21)11-10-23;1-2/h6-9,12-13,24H,2-5,10-11,23H2,1H3;1-2H3.
What are the key properties of 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane?
9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane has a molecular weight of 383.97 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane is sourced from PubChem (CID 171793515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).