1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

C22H31NO2 — CID 46007544

IUPAC1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCCC(C)N(Cc1ccc(C)cc1)CC(O)COCc1ccccc1
InChIInChI=1S/C22H31NO2/c1-4-19(3)23(14-20-12-10-18(2)11-13-20)15-22(24)17-25-16-21-8-6-5-7-9-21/h5-13,19,22,24H,4,14-17H2,1-3H3
InChIKeyHMFGKMQAYOSYSC-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.17
Rot. Bonds10

About 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 46007544) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID46007544
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCCC(C)N(Cc1ccc(C)cc1)CC(O)COCc1ccccc1
InChIInChI=1S/C22H31NO2/c1-4-19(3)23(14-20-12-10-18(2)11-13-20)15-22(24)17-25-16-21-8-6-5-7-9-21/h5-13,19,22,24H,4,14-17H2,1-3H3
InChIKeyHMFGKMQAYOSYSC-UHFFFAOYSA-N
XLogP4.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
(2S)-1-[[(2S)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164703
(2S)-1-[[(2R)-butan-2-yl]-[(2,4-dimethylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162353
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732505
(2R)-1-[[(2R)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 98628431
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 24717348
(2S)-1-[[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93163770
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
1-[butan-2-yl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717307

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 46007544) is 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is CCC(C)N(Cc1ccc(C)cc1)CC(O)COCc1ccccc1.
What is the InChIKey of 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is HMFGKMQAYOSYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-4-19(3)23(14-20-12-10-18(2)11-13-20)15-22(24)17-25-16-21-8-6-5-7-9-21/h5-13,19,22,24H,4,14-17H2,1-3H3.
What are the key properties of 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 341.50 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 46007544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).