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

C14H23NO — CID 64814687

IUPAC2-[phenyl(propylamino)methyl]butan-1-ol
SMILESCCCNC(c1ccccc1)C(CC)CO
InChIInChI=1S/C14H23NO/c1-3-10-15-14(12(4-2)11-16)13-8-6-5-7-9-13/h5-9,12,14-16H,3-4,10-11H2,1-2H3
InChIKeyKSKHECAXMHLCST-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.75
Rot. Bonds7

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

2-[phenyl(propylamino)methyl]butan-1-ol (PubChem CID 64814687) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[phenyl(propylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[phenyl(propylamino)methyl]butan-1-ol
PubChem CID64814687
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[phenyl(propylamino)methyl]butan-1-ol
SMILESCCCNC(c1ccccc1)C(CC)CO
InChIInChI=1S/C14H23NO/c1-3-10-15-14(12(4-2)11-16)13-8-6-5-7-9-13/h5-9,12,14-16H,3-4,10-11H2,1-2H3
InChIKeyKSKHECAXMHLCST-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
CID 106849374
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
CID 66259547
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
3-[3-methyl-1-phenyl-1-(propylamino)butan-2-yl]sulfanylbutan-1-ol
CID 66138007
2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107784222
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(propylamino)methyl]butan-1-ol?
The IUPAC name of 2-[phenyl(propylamino)methyl]butan-1-ol (CID 64814687) is 2-[phenyl(propylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-[phenyl(propylamino)methyl]butan-1-ol?
The canonical SMILES for 2-[phenyl(propylamino)methyl]butan-1-ol is CCCNC(c1ccccc1)C(CC)CO.
What is the InChIKey of 2-[phenyl(propylamino)methyl]butan-1-ol?
The InChIKey is KSKHECAXMHLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-10-15-14(12(4-2)11-16)13-8-6-5-7-9-13/h5-9,12,14-16H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[phenyl(propylamino)methyl]butan-1-ol?
2-[phenyl(propylamino)methyl]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(propylamino)methyl]butan-1-ol is sourced from PubChem (CID 64814687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).