(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol

C18H31NO2 — CID 93164993

IUPAC(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1CN(C[C@@H](O)COCC(C)C)C(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)12-21-13-18(20)11-19(15(3)4)10-17-9-7-6-8-16(17)5/h6-9,14-15,18,20H,10-13H2,1-5H3/t18-/m1/s1
InChIKeyAWYVQXCWMPJGQN-GOSISDBHSA-N
MW293.45 g/mol
LogP3.24
Rot. Bonds9

About (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol

(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 93164993) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID93164993
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1CN(C[C@@H](O)COCC(C)C)C(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)12-21-13-18(20)11-19(15(3)4)10-17-9-7-6-8-16(17)5/h6-9,14-15,18,20H,10-13H2,1-5H3/t18-/m1/s1
InChIKeyAWYVQXCWMPJGQN-GOSISDBHSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
(2S)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 93164988
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732501
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 98628517
(2R)-1-[(2,5-dimethylphenyl)methyl-propan-2-ylamino]-3-prop-2-ynoxypropan-2-ol
CID 93164699
(2S)-1-[(2,5-dimethylphenyl)methyl-propan-2-ylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164686
(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 93164345
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 42682374
1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713638
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol (CID 93164993) is (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol is Cc1ccccc1CN(C[C@@H](O)COCC(C)C)C(C)C.
What is the InChIKey of (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is AWYVQXCWMPJGQN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)12-21-13-18(20)11-19(15(3)4)10-17-9-7-6-8-16(17)5/h6-9,14-15,18,20H,10-13H2,1-5H3/t18-/m1/s1.
What are the key properties of (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol?
(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 93164993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).