1-(4-pentan-3-ylphenyl)ethanamine

C13H21N — CID 83829968

IUPAC1-(4-pentan-3-ylphenyl)ethanamine
SMILESCCC(CC)c1ccc(C(C)N)cc1
InChIInChI=1S/C13H21N/c1-4-11(5-2)13-8-6-12(7-9-13)10(3)14/h6-11H,4-5,14H2,1-3H3
InChIKeyQHTVDUQTDDTQJI-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-pentan-3-ylphenyl)ethanamine

1-(4-pentan-3-ylphenyl)ethanamine (PubChem CID 83829968) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(4-pentan-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-pentan-3-ylphenyl)ethanamine
PubChem CID83829968
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(4-pentan-3-ylphenyl)ethanamine
SMILESCCC(CC)c1ccc(C(C)N)cc1
InChIInChI=1S/C13H21N/c1-4-11(5-2)13-8-6-12(7-9-13)10(3)14/h6-11H,4-5,14H2,1-3H3
InChIKeyQHTVDUQTDDTQJI-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
CID 83834604
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(4-pentan-3-ylphenyl)arsane
CID 173084602
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
1-pentan-3-yl-4-[(4-pentan-3-ylphenyl)disulfanyl]benzene
CID 57099272
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
5-(4-chlorophenyl)heptan-2-amine
CID 83931168
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
azane;pentan-3-ylbenzene
CID 19774895

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentan-3-ylphenyl)ethanamine?
The IUPAC name of 1-(4-pentan-3-ylphenyl)ethanamine (CID 83829968) is 1-(4-pentan-3-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-pentan-3-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-pentan-3-ylphenyl)ethanamine is CCC(CC)c1ccc(C(C)N)cc1.
What is the InChIKey of 1-(4-pentan-3-ylphenyl)ethanamine?
The InChIKey is QHTVDUQTDDTQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-11(5-2)13-8-6-12(7-9-13)10(3)14/h6-11H,4-5,14H2,1-3H3.
What are the key properties of 1-(4-pentan-3-ylphenyl)ethanamine?
1-(4-pentan-3-ylphenyl)ethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentan-3-ylphenyl)ethanamine is sourced from PubChem (CID 83829968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).