N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine

C18H31NO2 — CID 43111176

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
SMILESCOc1ccc(C(C)NC(C)CCCC(C)C)cc1OC
InChIInChI=1S/C18H31NO2/c1-13(2)8-7-9-14(3)19-15(4)16-10-11-17(20-5)18(12-16)21-6/h10-15,19H,7-9H2,1-6H3
InChIKeyHDRSCNCHLCBPJD-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.57
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine

N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine (PubChem CID 43111176) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
PubChem CID43111176
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
SMILESCOc1ccc(C(C)NC(C)CCCC(C)C)cc1OC
InChIInChI=1S/C18H31NO2/c1-13(2)8-7-9-14(3)19-15(4)16-10-11-17(20-5)18(12-16)21-6/h10-15,19H,7-9H2,1-6H3
InChIKeyHDRSCNCHLCBPJD-UHFFFAOYSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-(2-methoxyphenyl)butan-2-amine;hydrochloride
CID 175344484
4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165275
3-[1-(3,4-dimethoxyphenyl)ethylamino]butanenitrile
CID 61174710
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
CID 43734058
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 43734064
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine (CID 43111176) is N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine is COc1ccc(C(C)NC(C)CCCC(C)C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine?
The InChIKey is HDRSCNCHLCBPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(2)8-7-9-14(3)19-15(4)16-10-11-17(20-5)18(12-16)21-6/h10-15,19H,7-9H2,1-6H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43111176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).