N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine

C15H25NO — CID 81376303

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
SMILESCCCCC(C)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-5-6-8-12(2)16-13(3)14-9-7-10-15(11-14)17-4/h7,9-13,16H,5-6,8H2,1-4H3/t12?,13-/m0/s1
InChIKeyUDIWCIDHXRPLPL-ABLWVSNPSA-N
MW235.37 g/mol
LogP3.92
Rot. Bonds7

About N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine (PubChem CID 81376303) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
PubChem CID81376303
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
SMILESCCCCC(C)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-5-6-8-12(2)16-13(3)14-9-7-10-15(11-14)17-4/h7,9-13,16H,5-6,8H2,1-4H3/t12?,13-/m0/s1
InChIKeyUDIWCIDHXRPLPL-ABLWVSNPSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-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-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
N-(1-phenylethyl)hexan-2-amine
CID 43755937
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373348
N-[1-(3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226889
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine (CID 81376303) is N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine is CCCCC(C)N[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine?
The InChIKey is UDIWCIDHXRPLPL-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-8-12(2)16-13(3)14-9-7-10-15(11-14)17-4/h7,9-13,16H,5-6,8H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine is sourced from PubChem (CID 81376303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).