(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol

C17H29NO — CID 93162962

IUPAC(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol
SMILESCc1cccc(CN(CC(C)C)C[C@H](O)C(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)10-18(12-17(19)14(3)4)11-16-8-6-7-15(5)9-16/h6-9,13-14,17,19H,10-12H2,1-5H3/t17-/m0/s1
InChIKeyBIBXVSNZFXEAHA-KRWDZBQOSA-N
MW263.43 g/mol
LogP3.47
Rot. Bonds7

About (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol

(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol (PubChem CID 93162962) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol
PubChem CID93162962
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol
SMILESCc1cccc(CN(CC(C)C)C[C@H](O)C(C)C)c1
InChIInChI=1S/C17H29NO/c1-13(2)10-18(12-17(19)14(3)4)11-16-8-6-7-15(5)9-16/h6-9,13-14,17,19H,10-12H2,1-5H3/t17-/m0/s1
InChIKeyBIBXVSNZFXEAHA-KRWDZBQOSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46007409
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 93163155
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 93162960
3-[3-[[bis(2-methylpropyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909294
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 93163145
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol
CID 46007418
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol?
The IUPAC name of (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol (CID 93162962) is (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol.
What is the SMILES notation for (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol?
The canonical SMILES for (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol is Cc1cccc(CN(CC(C)C)C[C@H](O)C(C)C)c1.
What is the InChIKey of (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol?
The InChIKey is BIBXVSNZFXEAHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)10-18(12-17(19)14(3)4)11-16-8-6-7-15(5)9-16/h6-9,13-14,17,19H,10-12H2,1-5H3/t17-/m0/s1.
What are the key properties of (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol?
(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol is sourced from PubChem (CID 93162962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).