2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline

C18H23ClN2 — CID 114861661

IUPAC2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cc(Cl)ccc2CC(C)N)c1
InChIInChI=1S/C18H23ClN2/c1-13-5-4-6-15(9-13)12-21(3)18-11-17(19)8-7-16(18)10-14(2)20/h4-9,11,14H,10,12,20H2,1-3H3
InChIKeyVSSMGVQXAWADHW-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.17
Rot. Bonds5

About 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline

2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 114861661) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID114861661
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cc(Cl)ccc2CC(C)N)c1
InChIInChI=1S/C18H23ClN2/c1-13-5-4-6-15(9-13)12-21(3)18-11-17(19)8-7-16(18)10-14(2)20/h4-9,11,14H,10,12,20H2,1-3H3
InChIKeyVSSMGVQXAWADHW-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166
2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 114861417
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
5-chloro-2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 114846461
2-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylaniline
CID 78934812
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 114860300

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline (CID 114861661) is 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CN(C)c2cc(Cl)ccc2CC(C)N)c1.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is VSSMGVQXAWADHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-13-5-4-6-15(9-13)12-21(3)18-11-17(19)8-7-16(18)10-14(2)20/h4-9,11,14H,10,12,20H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline?
2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 302.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 114861661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).