2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline

C18H24N2 — CID 103958489

IUPAC2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCC[C@H](N)c1ccccc1N(C)Cc1ccc(C)cc1
InChIInChI=1S/C18H24N2/c1-4-17(19)16-7-5-6-8-18(16)20(3)13-15-11-9-14(2)10-12-15/h5-12,17H,4,13,19H2,1-3H3/t17-/m0/s1
InChIKeyBRUFBFQHKOUULV-KRWDZBQOSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds5

About 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline

2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 103958489) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID103958489
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCC[C@H](N)c1ccccc1N(C)Cc1ccc(C)cc1
InChIInChI=1S/C18H24N2/c1-4-17(19)16-7-5-6-8-18(16)20(3)13-15-11-9-14(2)10-12-15/h5-12,17H,4,13,19H2,1-3H3/t17-/m0/s1
InChIKeyBRUFBFQHKOUULV-KRWDZBQOSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 78934580
2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103958767
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline (CID 103958489) is 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline is CC[C@H](N)c1ccccc1N(C)Cc1ccc(C)cc1.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is BRUFBFQHKOUULV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-17(19)16-7-5-6-8-18(16)20(3)13-15-11-9-14(2)10-12-15/h5-12,17H,4,13,19H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline?
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 103958489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).