(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol

C16H19NO — CID 103959642

IUPAC(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C16H19NO/c1-3-16(18)14-11-7-8-12-15(14)17(2)13-9-5-4-6-10-13/h4-12,16,18H,3H2,1-2H3/t16-/m0/s1
InChIKeyQCQKOZVFZAJGQR-INIZCTEOSA-N
MW241.33 g/mol
LogP3.90
Rot. Bonds4

About (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol

(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol (PubChem CID 103959642) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
PubChem CID103959642
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C16H19NO/c1-3-16(18)14-11-7-8-12-15(14)17(2)13-9-5-4-6-10-13/h4-12,16,18H,3H2,1-2H3/t16-/m0/s1
InChIKeyQCQKOZVFZAJGQR-INIZCTEOSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol
CID 103960038
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
CID 103960207
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol (CID 103959642) is (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(C)c1ccccc1.
What is the InChIKey of (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol?
The InChIKey is QCQKOZVFZAJGQR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-16(18)14-11-7-8-12-15(14)17(2)13-9-5-4-6-10-13/h4-12,16,18H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol?
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol is sourced from PubChem (CID 103959642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).