1-phenyloctan-4-amine

C14H23N — CID 79413314

IUPAC1-phenyloctan-4-amine
SMILESCCCCC(N)CCCc1ccccc1
InChIInChI=1S/C14H23N/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,15H2,1H3
InChIKeyLFGVJXWQCYMBJE-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.53
Rot. Bonds7

About 1-phenyloctan-4-amine

1-phenyloctan-4-amine (PubChem CID 79413314) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 1-phenyloctan-4-amine.

Molecular Properties

Compound Name1-phenyloctan-4-amine
PubChem CID79413314
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name1-phenyloctan-4-amine
SMILESCCCCC(N)CCCc1ccccc1
InChIInChI=1S/C14H23N/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,15H2,1H3
InChIKeyLFGVJXWQCYMBJE-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-1-phenyldecan-4-amine
CID 105102887
7-phenylheptane-1,4-diamine
CID 174860311
(3R)-1-phenylhexan-3-amine
CID 66612996
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
butylbenzene;hydroxylamine
CID 175142403
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of 1-phenyloctan-4-amine?
The IUPAC name of 1-phenyloctan-4-amine (CID 79413314) is 1-phenyloctan-4-amine.
What is the SMILES notation for 1-phenyloctan-4-amine?
The canonical SMILES for 1-phenyloctan-4-amine is CCCCC(N)CCCc1ccccc1.
What is the InChIKey of 1-phenyloctan-4-amine?
The InChIKey is LFGVJXWQCYMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,15H2,1H3.
What are the key properties of 1-phenyloctan-4-amine?
1-phenyloctan-4-amine has a molecular weight of 205.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyloctan-4-amine is sourced from PubChem (CID 79413314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).