3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine

C17H29NO — CID 61064815

IUPAC3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(OC)cc1)NC
InChIInChI=1S/C17H29NO/c1-5-7-8-15(6-2)17(18-3)13-14-9-11-16(19-4)12-10-14/h9-12,15,17-18H,5-8,13H2,1-4H3
InChIKeyOLNFBZASYPBKLP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds9

About 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine

3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine (PubChem CID 61064815) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
PubChem CID61064815
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(OC)cc1)NC
InChIInChI=1S/C17H29NO/c1-5-7-8-15(6-2)17(18-3)13-14-9-11-16(19-4)12-10-14/h9-12,15,17-18H,5-8,13H2,1-4H3
InChIKeyOLNFBZASYPBKLP-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528266
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
2-[(4-methoxyphenyl)methyl]hexanenitrile
CID 132506369
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine
CID 66835432

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine?
The IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine (CID 61064815) is 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine.
What is the SMILES notation for 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine?
The canonical SMILES for 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine is CCCCC(CC)C(Cc1ccc(OC)cc1)NC.
What is the InChIKey of 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine?
The InChIKey is OLNFBZASYPBKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-8-15(6-2)17(18-3)13-14-9-11-16(19-4)12-10-14/h9-12,15,17-18H,5-8,13H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine?
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine is sourced from PubChem (CID 61064815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).