3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol

C15H25NO — CID 64814691

IUPAC3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
SMILESCCCNC(c1ccccc1)C(CO)C(C)C
InChIInChI=1S/C15H25NO/c1-4-10-16-15(14(11-17)12(2)3)13-8-6-5-7-9-13/h5-9,12,14-17H,4,10-11H2,1-3H3
InChIKeyFJPQETRBLNGVRS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.99
Rot. Bonds7

About 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol

3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol (PubChem CID 64814691) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
PubChem CID64814691
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
SMILESCCCNC(c1ccccc1)C(CO)C(C)C
InChIInChI=1S/C15H25NO/c1-4-10-16-15(14(11-17)12(2)3)13-8-6-5-7-9-13/h5-9,12,14-17H,4,10-11H2,1-3H3
InChIKeyFJPQETRBLNGVRS-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
3-[3-methyl-1-phenyl-1-(propylamino)butan-2-yl]sulfanylbutan-1-ol
CID 66138007
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64652134
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 113350165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol (CID 64814691) is 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol is CCCNC(c1ccccc1)C(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol?
The InChIKey is FJPQETRBLNGVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-10-16-15(14(11-17)12(2)3)13-8-6-5-7-9-13/h5-9,12,14-17H,4,10-11H2,1-3H3.
What are the key properties of 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol?
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol is sourced from PubChem (CID 64814691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).