butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine

C16H29NO — CID 143932693

IUPACbutan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
SMILESCCCCO.CCCN(C)Cc1cccc(C)c1
InChIInChI=1S/C12H19N.C4H10O/c1-4-8-13(3)10-12-7-5-6-11(2)9-12;1-2-3-4-5/h5-7,9H,4,8,10H2,1-3H3;5H,2-4H2,1H3
InChIKeyGLVCXKCUYLDNNQ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.62
Rot. Bonds6

About butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine

butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine (PubChem CID 143932693) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Namebutan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
PubChem CID143932693
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Namebutan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
SMILESCCCCO.CCCN(C)Cc1cccc(C)c1
InChIInChI=1S/C12H19N.C4H10O/c1-4-8-13(3)10-12-7-5-6-11(2)9-12;1-2-3-4-5/h5-7,9H,4,8,10H2,1-3H3;5H,2-4H2,1H3
InChIKeyGLVCXKCUYLDNNQ-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
4-[3-[[methyl(propyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969699
N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]butan-1-amine
CID 63389178
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 62266896
(E)-3-[3-[[methyl(pentyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375462

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine (CID 143932693) is butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine is CCCCO.CCCN(C)Cc1cccc(C)c1.
What is the InChIKey of butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is GLVCXKCUYLDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C4H10O/c1-4-8-13(3)10-12-7-5-6-11(2)9-12;1-2-3-4-5/h5-7,9H,4,8,10H2,1-3H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 143932693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).