4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol

C18H23NO — CID 81349500

IUPAC4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
SMILESCCC(N[C@@H](C)c1ccc(C)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-4-18(16-9-11-17(20)12-10-16)19-14(3)15-7-5-13(2)6-8-15/h5-12,14,18-20H,4H2,1-3H3/t14-,18?/m0/s1
InChIKeyKZPYSOQCOIFIMZ-PIVQAISJSA-N
MW269.39 g/mol
LogP4.50
Rot. Bonds5

About 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol

4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol (PubChem CID 81349500) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
PubChem CID81349500
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
SMILESCCC(N[C@@H](C)c1ccc(C)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-4-18(16-9-11-17(20)12-10-16)19-14(3)15-7-5-13(2)6-8-15/h5-12,14,18-20H,4H2,1-3H3/t14-,18?/m0/s1
InChIKeyKZPYSOQCOIFIMZ-PIVQAISJSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
CID 43732505
4-[1-[1-(2,4-dimethylphenyl)ethylamino]propyl]phenol
CID 60944426
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
CID 141070441
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
The IUPAC name of 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol (CID 81349500) is 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol.
What is the SMILES notation for 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
The canonical SMILES for 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol is CCC(N[C@@H](C)c1ccc(C)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
The InChIKey is KZPYSOQCOIFIMZ-PIVQAISJSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-18(16-9-11-17(20)12-10-16)19-14(3)15-7-5-13(2)6-8-15/h5-12,14,18-20H,4H2,1-3H3/t14-,18?/m0/s1.
What are the key properties of 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol is sourced from PubChem (CID 81349500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).