1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine

C14H23NO — CID 43498177

IUPAC1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-9-15-13(6-2)12-7-8-14(16-4)11(3)10-12/h7-8,10,13,15H,5-6,9H2,1-4H3
InChIKeyBDLBDQQKZJIIGW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.45
Rot. Bonds6

About 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine

1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine (PubChem CID 43498177) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
PubChem CID43498177
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-9-15-13(6-2)12-7-8-14(16-4)11(3)10-12/h7-8,10,13,15H,5-6,9H2,1-4H3
InChIKeyBDLBDQQKZJIIGW-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(4-methoxy-3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984206
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496
N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 106684318
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine (CID 43498177) is 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is BDLBDQQKZJIIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-9-15-13(6-2)12-7-8-14(16-4)11(3)10-12/h7-8,10,13,15H,5-6,9H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine?
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 43498177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).