N-ethyl-2-(2-methoxyphenyl)hexan-3-amine

C15H25NO — CID 83050697

IUPACN-ethyl-2-(2-methoxyphenyl)hexan-3-amine
SMILESCCCC(NCC)C(C)c1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-9-14(16-6-2)12(3)13-10-7-8-11-15(13)17-4/h7-8,10-12,14,16H,5-6,9H2,1-4H3
InChIKeyPBIRDHLCOQKOBU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds7

About N-ethyl-2-(2-methoxyphenyl)hexan-3-amine

N-ethyl-2-(2-methoxyphenyl)hexan-3-amine (PubChem CID 83050697) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyphenyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyphenyl)hexan-3-amine
PubChem CID83050697
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-2-(2-methoxyphenyl)hexan-3-amine
SMILESCCCC(NCC)C(C)c1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-9-14(16-6-2)12(3)13-10-7-8-11-15(13)17-4/h7-8,10-12,14,16H,5-6,9H2,1-4H3
InChIKeyPBIRDHLCOQKOBU-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
2-(2-ethoxyphenyl)-N-propylhexan-3-amine
CID 83050810
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
CID 83051116
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyphenyl)hexan-3-amine?
The IUPAC name of N-ethyl-2-(2-methoxyphenyl)hexan-3-amine (CID 83050697) is N-ethyl-2-(2-methoxyphenyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2-(2-methoxyphenyl)hexan-3-amine?
The canonical SMILES for N-ethyl-2-(2-methoxyphenyl)hexan-3-amine is CCCC(NCC)C(C)c1ccccc1OC.
What is the InChIKey of N-ethyl-2-(2-methoxyphenyl)hexan-3-amine?
The InChIKey is PBIRDHLCOQKOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-9-14(16-6-2)12(3)13-10-7-8-11-15(13)17-4/h7-8,10-12,14,16H,5-6,9H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methoxyphenyl)hexan-3-amine?
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyphenyl)hexan-3-amine is sourced from PubChem (CID 83050697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).