N-ethyl-3-phenylheptan-4-amine

C15H25N — CID 83051533

IUPACN-ethyl-3-phenylheptan-4-amine
SMILESCCCC(NCC)C(CC)c1ccccc1
InChIInChI=1S/C15H25N/c1-4-10-15(16-6-3)14(5-2)13-11-8-7-9-12-13/h7-9,11-12,14-16H,4-6,10H2,1-3H3
InChIKeyHXTLWTWHHYGJIK-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.96
Rot. Bonds7

About N-ethyl-3-phenylheptan-4-amine

N-ethyl-3-phenylheptan-4-amine (PubChem CID 83051533) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-ethyl-3-phenylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-phenylheptan-4-amine
PubChem CID83051533
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-ethyl-3-phenylheptan-4-amine
SMILESCCCC(NCC)C(CC)c1ccccc1
InChIInChI=1S/C15H25N/c1-4-10-15(16-6-3)14(5-2)13-11-8-7-9-12-13/h7-9,11-12,14-16H,4-6,10H2,1-3H3
InChIKeyHXTLWTWHHYGJIK-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-methoxy-2-phenylhexan-3-amine
CID 103466366
3-(4-chlorophenyl)-N-ethylheptan-4-amine
CID 83051946
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
CID 115849907
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
CID 115788902
3-(3-chlorophenyl)-N-propylheptan-4-amine
CID 83051541
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-(3-methyl-2-phenylbutyl)hexan-3-amine
CID 114011776
1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
CID 105049307
5-methyl-3-phenyloctan-4-ol
CID 107894691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenylheptan-4-amine?
The IUPAC name of N-ethyl-3-phenylheptan-4-amine (CID 83051533) is N-ethyl-3-phenylheptan-4-amine.
What is the SMILES notation for N-ethyl-3-phenylheptan-4-amine?
The canonical SMILES for N-ethyl-3-phenylheptan-4-amine is CCCC(NCC)C(CC)c1ccccc1.
What is the InChIKey of N-ethyl-3-phenylheptan-4-amine?
The InChIKey is HXTLWTWHHYGJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-10-15(16-6-3)14(5-2)13-11-8-7-9-12-13/h7-9,11-12,14-16H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-3-phenylheptan-4-amine?
N-ethyl-3-phenylheptan-4-amine has a molecular weight of 219.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenylheptan-4-amine is sourced from PubChem (CID 83051533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).