N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine

C18H31NO2 — CID 43100737

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H31NO2/c1-6-14(3)12-16(7-2)19-11-10-15-8-9-17(20-4)18(13-15)21-5/h8-9,13-14,16,19H,6-7,10-12H2,1-5H3
InChIKeyGRCDDXZHIKLVFT-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.05
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine (PubChem CID 43100737) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine
PubChem CID43100737
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H31NO2/c1-6-14(3)12-16(7-2)19-11-10-15-8-9-17(20-4)18(13-15)21-5/h8-9,13-14,16,19H,6-7,10-12H2,1-5H3
InChIKeyGRCDDXZHIKLVFT-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine
CID 43106121
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 60865170
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
CID 43087369
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
CID 64866198
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 43242740
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
CID 115704098

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine (CID 43100737) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine is CCC(C)CC(CC)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine?
The InChIKey is GRCDDXZHIKLVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-14(3)12-16(7-2)19-11-10-15-8-9-17(20-4)18(13-15)21-5/h8-9,13-14,16,19H,6-7,10-12H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine has a molecular weight of 293.45 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylheptan-3-amine is sourced from PubChem (CID 43100737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).