2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol

C18H23NO — CID 59775365

IUPAC2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol
SMILESCc1ccc(O)c([C@H](CCN(C)C)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-9-10-18(20)17(13-14)16(11-12-19(2)3)15-7-5-4-6-8-15/h4-10,13,16,20H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyDGOWYYSKXWXTAA-MRXNPFEDSA-N
MW269.39 g/mol
LogP3.78
Rot. Bonds5

About 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol

2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol (PubChem CID 59775365) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol
PubChem CID59775365
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol
SMILESCc1ccc(O)c([C@H](CCN(C)C)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-9-10-18(20)17(13-14)16(11-12-19(2)3)15-7-5-4-6-8-15/h4-10,13,16,20H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyDGOWYYSKXWXTAA-MRXNPFEDSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 10074968
2-[4,4-bis(dimethylamino)-1-phenylbutyl]-4-methylphenol
CID 16752583
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-[(1R)-3-[[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 11468528
(3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 91809622
[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl] methanesulfonate
CID 142685942
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802
(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 70989552
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
CID 22677023
4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357394

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol?
The IUPAC name of 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol (CID 59775365) is 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol.
What is the SMILES notation for 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol?
The canonical SMILES for 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol is Cc1ccc(O)c([C@H](CCN(C)C)c2ccccc2)c1.
What is the InChIKey of 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol?
The InChIKey is DGOWYYSKXWXTAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-9-10-18(20)17(13-14)16(11-12-19(2)3)15-7-5-4-6-8-15/h4-10,13,16,20H,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol?
2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol has a molecular weight of 269.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol is sourced from PubChem (CID 59775365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).