4-[2-(3-aminopropyl)phenyl]pentan-1-amine

C14H24N2 — CID 54448117

IUPAC4-[2-(3-aminopropyl)phenyl]pentan-1-amine
SMILESCC(CCCN)c1ccccc1CCCN
InChIInChI=1S/C14H24N2/c1-12(6-4-10-15)14-9-3-2-7-13(14)8-5-11-16/h2-3,7,9,12H,4-6,8,10-11,15-16H2,1H3
InChIKeyNYLIPAAYYABYCK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.42
Rot. Bonds7

About 4-[2-(3-aminopropyl)phenyl]pentan-1-amine

4-[2-(3-aminopropyl)phenyl]pentan-1-amine (PubChem CID 54448117) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[2-(3-aminopropyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name4-[2-(3-aminopropyl)phenyl]pentan-1-amine
PubChem CID54448117
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[2-(3-aminopropyl)phenyl]pentan-1-amine
SMILESCC(CCCN)c1ccccc1CCCN
InChIInChI=1S/C14H24N2/c1-12(6-4-10-15)14-9-3-2-7-13(14)8-5-11-16/h2-3,7,9,12H,4-6,8,10-11,15-16H2,1H3
InChIKeyNYLIPAAYYABYCK-UHFFFAOYSA-N
XLogP2.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144927563
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1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
4-[2-(2-aminopropyl)phenyl]butan-1-amine
CID 66940380
1-butan-2-yl-2-(2-phenylethyl)benzene
CID 22235126
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine
CID 115029972
2-(6-methylheptan-2-yl)phenol
CID 163037790
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopropyl)phenyl]pentan-1-amine?
The IUPAC name of 4-[2-(3-aminopropyl)phenyl]pentan-1-amine (CID 54448117) is 4-[2-(3-aminopropyl)phenyl]pentan-1-amine.
What is the SMILES notation for 4-[2-(3-aminopropyl)phenyl]pentan-1-amine?
The canonical SMILES for 4-[2-(3-aminopropyl)phenyl]pentan-1-amine is CC(CCCN)c1ccccc1CCCN.
What is the InChIKey of 4-[2-(3-aminopropyl)phenyl]pentan-1-amine?
The InChIKey is NYLIPAAYYABYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(6-4-10-15)14-9-3-2-7-13(14)8-5-11-16/h2-3,7,9,12H,4-6,8,10-11,15-16H2,1H3.
What are the key properties of 4-[2-(3-aminopropyl)phenyl]pentan-1-amine?
4-[2-(3-aminopropyl)phenyl]pentan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopropyl)phenyl]pentan-1-amine is sourced from PubChem (CID 54448117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).