7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine

C16H24ClN3 — CID 104721739

IUPAC7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCc1ccc(NC2(CN)CCN3CCCC3C2)cc1Cl
InChIInChI=1S/C16H24ClN3/c1-12-4-5-13(9-15(12)17)19-16(11-18)6-8-20-7-2-3-14(20)10-16/h4-5,9,14,19H,2-3,6-8,10-11,18H2,1H3
InChIKeyHXQSUGMBQDVVGN-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.02
Rot. Bonds3

About 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine

7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine (PubChem CID 104721739) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine.

Molecular Properties

Compound Name7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
PubChem CID104721739
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCc1ccc(NC2(CN)CCN3CCCC3C2)cc1Cl
InChIInChI=1S/C16H24ClN3/c1-12-4-5-13(9-15(12)17)19-16(11-18)6-8-20-7-2-3-14(20)10-16/h4-5,9,14,19H,2-3,6-8,10-11,18H2,1H3
InChIKeyHXQSUGMBQDVVGN-UHFFFAOYSA-N
XLogP3.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine with MolForge

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Related Compounds

1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
CID 104721790
N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
CID 104721710
7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
CID 82761437
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
3-(aminomethyl)-N-(3-chloro-4-methylphenyl)thiolan-3-amine
CID 104721792
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine
CID 107619601
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
The IUPAC name of 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine (CID 104721739) is 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine.
What is the SMILES notation for 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
The canonical SMILES for 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine is Cc1ccc(NC2(CN)CCN3CCCC3C2)cc1Cl.
What is the InChIKey of 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
The InChIKey is HXQSUGMBQDVVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-12-4-5-13(9-15(12)17)19-16(11-18)6-8-20-7-2-3-14(20)10-16/h4-5,9,14,19H,2-3,6-8,10-11,18H2,1H3.
What are the key properties of 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine has a molecular weight of 293.84 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine is sourced from PubChem (CID 104721739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).