(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol

C18H23NO — CID 103959816

IUPAC(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C18H23NO/c1-4-18(20)16-10-5-6-11-17(16)19(3)13-15-9-7-8-14(2)12-15/h5-12,18,20H,4,13H2,1-3H3/t18-/m1/s1
InChIKeyDJRVUDMHORVQDL-GOSISDBHSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds5

About (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol

(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol (PubChem CID 103959816) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
PubChem CID103959816
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C18H23NO/c1-4-18(20)16-10-5-6-11-17(16)19(3)13-15-9-7-8-14(2)12-15/h5-12,18,20H,4,13H2,1-3H3/t18-/m1/s1
InChIKeyDJRVUDMHORVQDL-GOSISDBHSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959815
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
CID 78939923
(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol
CID 103959914
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol
CID 103960038
4-methyl-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62301586
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol (CID 103959816) is (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(C)Cc1cccc(C)c1.
What is the InChIKey of (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol?
The InChIKey is DJRVUDMHORVQDL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-18(20)16-10-5-6-11-17(16)19(3)13-15-9-7-8-14(2)12-15/h5-12,18,20H,4,13H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol?
(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).