1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine

C18H23N — CID 81351883

IUPAC1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-18(17-12-10-14(2)11-13-17)19-15(3)16-8-6-5-7-9-16/h5-13,15,18-19H,4H2,1-3H3/t15-,18?/m1/s1
InChIKeyMJHPKAXQHVNHSN-NNJIEVJOSA-N
MW253.39 g/mol
LogP4.80
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine

1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine (PubChem CID 81351883) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
PubChem CID81351883
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-18(17-12-10-14(2)11-13-17)19-15(3)16-8-6-5-7-9-16/h5-13,15,18-19H,4H2,1-3H3/t15-,18?/m1/s1
InChIKeyMJHPKAXQHVNHSN-NNJIEVJOSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 81348350
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine (CID 81351883) is 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine is CCC(N[C@H](C)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
The InChIKey is MJHPKAXQHVNHSN-NNJIEVJOSA-N. The full InChI is InChI=1S/C18H23N/c1-4-18(17-12-10-14(2)11-13-17)19-15(3)16-8-6-5-7-9-16/h5-13,15,18-19H,4H2,1-3H3/t15-,18?/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine?
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 81351883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).