N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine

C16H27NO — CID 103729443

IUPACN-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1cccc(OC)c1
InChIInChI=1S/C16H27NO/c1-4-7-15(8-5-2)17-12-11-14-9-6-10-16(13-14)18-3/h6,9-10,13,15,17H,4-5,7-8,11-12H2,1-3H3
InChIKeyFATWDEWBKHBKDO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.80
Rot. Bonds9

About N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine

N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine (PubChem CID 103729443) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
PubChem CID103729443
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1cccc(OC)c1
InChIInChI=1S/C16H27NO/c1-4-7-15(8-5-2)17-12-11-14-9-6-10-16(13-14)18-3/h6,9-10,13,15,17H,4-5,7-8,11-12H2,1-3H3
InChIKeyFATWDEWBKHBKDO-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
1-methoxy-3-propylbenzene
CID 14270128
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
3,3-diethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107852059
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107850157
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
(2S)-2-[2-(3-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 107843103

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine (CID 103729443) is N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine is CCCC(CCC)NCCc1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine?
The InChIKey is FATWDEWBKHBKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-7-15(8-5-2)17-12-11-14-9-6-10-16(13-14)18-3/h6,9-10,13,15,17H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine?
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine is sourced from PubChem (CID 103729443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).