N-ethyl-6-methoxy-2-phenylhexan-1-amine

C15H25NO — CID 81024742

IUPACN-ethyl-6-methoxy-2-phenylhexan-1-amine
SMILESCCNCC(CCCCOC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-16-13-15(11-7-8-12-17-2)14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3
InChIKeyLZUOVTVLWSRYOL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.20
Rot. Bonds9

About N-ethyl-6-methoxy-2-phenylhexan-1-amine

N-ethyl-6-methoxy-2-phenylhexan-1-amine (PubChem CID 81024742) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-phenylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-phenylhexan-1-amine
PubChem CID81024742
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-6-methoxy-2-phenylhexan-1-amine
SMILESCCNCC(CCCCOC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-16-13-15(11-7-8-12-17-2)14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3
InChIKeyLZUOVTVLWSRYOL-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65430810
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
7-(2-methoxyethoxy)heptan-3-ylbenzene
CID 59850685

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2-phenylhexan-1-amine?
The IUPAC name of N-ethyl-6-methoxy-2-phenylhexan-1-amine (CID 81024742) is N-ethyl-6-methoxy-2-phenylhexan-1-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2-phenylhexan-1-amine?
The canonical SMILES for N-ethyl-6-methoxy-2-phenylhexan-1-amine is CCNCC(CCCCOC)c1ccccc1.
What is the InChIKey of N-ethyl-6-methoxy-2-phenylhexan-1-amine?
The InChIKey is LZUOVTVLWSRYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-16-13-15(11-7-8-12-17-2)14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-ethyl-6-methoxy-2-phenylhexan-1-amine?
N-ethyl-6-methoxy-2-phenylhexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-phenylhexan-1-amine is sourced from PubChem (CID 81024742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).