1-(3-methoxyphenyl)-N-propylbutan-1-amine

C14H23NO — CID 60797906

IUPAC1-(3-methoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-7-14(15-10-5-2)12-8-6-9-13(11-12)16-3/h6,8-9,11,14-15H,4-5,7,10H2,1-3H3
InChIKeyIWBOEFDFZITCMO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-propylbutan-1-amine

1-(3-methoxyphenyl)-N-propylbutan-1-amine (PubChem CID 60797906) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-propylbutan-1-amine
PubChem CID60797906
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-7-14(15-10-5-2)12-8-6-9-13(11-12)16-3/h6,8-9,11,14-15H,4-5,7,10H2,1-3H3
InChIKeyIWBOEFDFZITCMO-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
CID 63414016
N-[2-tert-butylsulfinyl-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 64653384
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
CID 70057339
N,N-dimethyl-3-[1-(propylamino)butyl]aniline
CID 105080148
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-propylbutan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-propylbutan-1-amine (CID 60797906) is 1-(3-methoxyphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-propylbutan-1-amine is CCCNC(CCC)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-propylbutan-1-amine?
The InChIKey is IWBOEFDFZITCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-14(15-10-5-2)12-8-6-9-13(11-12)16-3/h6,8-9,11,14-15H,4-5,7,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-propylbutan-1-amine?
1-(3-methoxyphenyl)-N-propylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 60797906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).