1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol

C14H23NO — CID 43499366

IUPAC1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
SMILESCC(C)CC(NCC(C)O)c1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)9-14(15-10-12(3)16)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3
InChIKeyMGPSGRZFUCFZOI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.74
Rot. Bonds6

About 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol

1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol (PubChem CID 43499366) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
PubChem CID43499366
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
SMILESCC(C)CC(NCC(C)O)c1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)9-14(15-10-12(3)16)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3
InChIKeyMGPSGRZFUCFZOI-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 103729480
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
CID 103906509
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
CID 103913530
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
The IUPAC name of 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol (CID 43499366) is 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol is CC(C)CC(NCC(C)O)c1ccccc1.
What is the InChIKey of 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
The InChIKey is MGPSGRZFUCFZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)9-14(15-10-12(3)16)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3.
What are the key properties of 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol is sourced from PubChem (CID 43499366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).