1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol

C16H27NO — CID 46007418

IUPAC1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol
SMILESCCCC(O)CN(CCC)Cc1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-4-7-16(18)13-17(10-5-2)12-15-9-6-8-14(3)11-15/h6,8-9,11,16,18H,4-5,7,10,12-13H2,1-3H3
InChIKeyNQATUIRYNFTQFQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.37
Rot. Bonds8

About 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol

1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol (PubChem CID 46007418) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol
PubChem CID46007418
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol
SMILESCCCC(O)CN(CCC)Cc1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-4-7-16(18)13-17(10-5-2)12-15-9-6-8-14(3)11-15/h6,8-9,11,16,18H,4-5,7,10,12-13H2,1-3H3
InChIKeyNQATUIRYNFTQFQ-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
CID 24714634
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 93163155
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 93163145
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
CID 93163051
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124
1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46007442
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93163167
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
3-[(3-aminophenyl)methyl-propylamino]propane-1,2-diol
CID 82850437
1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46007409
(2S)-1-(4-methoxyphenoxy)-3-[3-methylbutyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 93163150
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol?
The IUPAC name of 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol (CID 46007418) is 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol.
What is the SMILES notation for 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol?
The canonical SMILES for 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol is CCCC(O)CN(CCC)Cc1cccc(C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol?
The InChIKey is NQATUIRYNFTQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-7-16(18)13-17(10-5-2)12-15-9-6-8-14(3)11-15/h6,8-9,11,16,18H,4-5,7,10,12-13H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol?
1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol is sourced from PubChem (CID 46007418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).