3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol

C16H27NO — CID 62624007

IUPAC3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESCCCCCN(C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-4-5-6-11-17(3)12-10-16(18)15-9-7-8-14(2)13-15/h7-9,13,16,18H,4-6,10-12H2,1-3H3
InChIKeyLHPTTXQFCIEPLR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.54
Rot. Bonds8

About 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol

3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol (PubChem CID 62624007) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
PubChem CID62624007
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESCCCCCN(C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-4-5-6-11-17(3)12-10-16(18)15-9-7-8-14(2)13-15/h7-9,13,16,18H,4-6,10-12H2,1-3H3
InChIKeyLHPTTXQFCIEPLR-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
1-(3-methylphenyl)decan-1-ol
CID 63411280
3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 112665072
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
CID 82136110
3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82074631
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
1-(3-methylphenyl)-2-octoxyethanol
CID 55193418
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
1-(3-bromophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 114238120

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol (CID 62624007) is 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol is CCCCCN(C)CCC(O)c1cccc(C)c1.
What is the InChIKey of 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol?
The InChIKey is LHPTTXQFCIEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-6-11-17(3)12-10-16(18)15-9-7-8-14(2)13-15/h7-9,13,16,18H,4-6,10-12H2,1-3H3.
What are the key properties of 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol?
3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 62624007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).