N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C16H23ClN2 — CID 106863004

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1ccc(CNC2CCN3CCCC3C2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-12-4-5-13(16(17)9-12)11-18-14-6-8-19-7-2-3-15(19)10-14/h4-5,9,14-15,18H,2-3,6-8,10-11H2,1H3
InChIKeyJVFWXDCARNVMTG-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.36
Rot. Bonds3

About N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 106863004) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID106863004
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1ccc(CNC2CCN3CCCC3C2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-12-4-5-13(16(17)9-12)11-18-14-6-8-19-7-2-3-15(19)10-14/h4-5,9,14-15,18H,2-3,6-8,10-11H2,1H3
InChIKeyJVFWXDCARNVMTG-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol
CID 78959743
N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 106862537
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904
(7R,8aS)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124855746
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3-bromobenzoic acid
CID 103260544
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107236024
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728549

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 106863004) is N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Cc1ccc(CNC2CCN3CCCC3C2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is JVFWXDCARNVMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12-4-5-13(16(17)9-12)11-18-14-6-8-19-7-2-3-15(19)10-14/h4-5,9,14-15,18H,2-3,6-8,10-11H2,1H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 278.83 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 106863004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).