4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol

C18H23NO — CID 115494469

IUPAC4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
SMILESCc1ccc([C@H](C)NC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-13-4-8-17(9-5-13)15(3)19-14(2)12-16-6-10-18(20)11-7-16/h4-11,14-15,19-20H,12H2,1-3H3/t14?,15-/m0/s1
InChIKeyDKWNNTBGVFUKCX-LOACHALJSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds5

About 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol

4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol (PubChem CID 115494469) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
PubChem CID115494469
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
SMILESCc1ccc([C@H](C)NC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO/c1-13-4-8-17(9-5-13)15(3)19-14(2)12-16-6-10-18(20)11-7-16/h4-11,14-15,19-20H,12H2,1-3H3/t14?,15-/m0/s1
InChIKeyDKWNNTBGVFUKCX-LOACHALJSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501
2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
CID 103389165
4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131345
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol
CID 154866336

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
The IUPAC name of 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol (CID 115494469) is 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol.
What is the SMILES notation for 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
The canonical SMILES for 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol is Cc1ccc([C@H](C)NC(C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
The InChIKey is DKWNNTBGVFUKCX-LOACHALJSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-4-8-17(9-5-13)15(3)19-14(2)12-16-6-10-18(20)11-7-16/h4-11,14-15,19-20H,12H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol?
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol is sourced from PubChem (CID 115494469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).