6-(4-ethylphenyl)heptan-3-amine

C15H25N — CID 83922585

IUPAC6-(4-ethylphenyl)heptan-3-amine
SMILESCCc1ccc(C(C)CCC(N)CC)cc1
InChIInChI=1S/C15H25N/c1-4-13-7-9-14(10-8-13)12(3)6-11-15(16)5-2/h7-10,12,15H,4-6,11,16H2,1-3H3
InChIKeyRFNGCMVVJGRJBD-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.87
Rot. Bonds6

About 6-(4-ethylphenyl)heptan-3-amine

6-(4-ethylphenyl)heptan-3-amine (PubChem CID 83922585) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 6-(4-ethylphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(4-ethylphenyl)heptan-3-amine
PubChem CID83922585
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name6-(4-ethylphenyl)heptan-3-amine
SMILESCCc1ccc(C(C)CCC(N)CC)cc1
InChIInChI=1S/C15H25N/c1-4-13-7-9-14(10-8-13)12(3)6-11-15(16)5-2/h7-10,12,15H,4-6,11,16H2,1-3H3
InChIKeyRFNGCMVVJGRJBD-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
6-(3,4-difluorophenyl)heptan-3-amine
CID 83936159
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-ethyl-4-[5-(2-methylphenyl)hexan-2-yl]benzene
CID 91133906
5-(4-propan-2-ylphenyl)hexan-2-amine
CID 83939090
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
2-amino-5-(4-ethylphenyl)hexan-3-ol
CID 83922656
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
ethane;ethylbenzene;hexan-3-amine
CID 143182014

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)heptan-3-amine?
The IUPAC name of 6-(4-ethylphenyl)heptan-3-amine (CID 83922585) is 6-(4-ethylphenyl)heptan-3-amine.
What is the SMILES notation for 6-(4-ethylphenyl)heptan-3-amine?
The canonical SMILES for 6-(4-ethylphenyl)heptan-3-amine is CCc1ccc(C(C)CCC(N)CC)cc1.
What is the InChIKey of 6-(4-ethylphenyl)heptan-3-amine?
The InChIKey is RFNGCMVVJGRJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-13-7-9-14(10-8-13)12(3)6-11-15(16)5-2/h7-10,12,15H,4-6,11,16H2,1-3H3.
What are the key properties of 6-(4-ethylphenyl)heptan-3-amine?
6-(4-ethylphenyl)heptan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)heptan-3-amine is sourced from PubChem (CID 83922585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).