N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine

C16H27NO — CID 81396911

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
SMILESCOc1ccccc1[C@H](C)NC(C)CCC(C)C
InChIInChI=1S/C16H27NO/c1-12(2)10-11-13(3)17-14(4)15-8-6-7-9-16(15)18-5/h6-9,12-14,17H,10-11H2,1-5H3/t13?,14-/m0/s1
InChIKeyWSSPUTYMQKBPDB-KZUDCZAMSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds7

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 81396911) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
PubChem CID81396911
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
SMILESCOc1ccccc1[C@H](C)NC(C)CCC(C)C
InChIInChI=1S/C16H27NO/c1-12(2)10-11-13(3)17-14(4)15-8-6-7-9-16(15)18-5/h6-9,12-14,17H,10-11H2,1-5H3/t13?,14-/m0/s1
InChIKeyWSSPUTYMQKBPDB-KZUDCZAMSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-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

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350914
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine (CID 81396911) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine is COc1ccccc1[C@H](C)NC(C)CCC(C)C.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is WSSPUTYMQKBPDB-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)10-11-13(3)17-14(4)15-8-6-7-9-16(15)18-5/h6-9,12-14,17H,10-11H2,1-5H3/t13?,14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 81396911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).