1-(4-propoxyphenyl)pentan-1-amine

C14H23NO — CID 79016312

IUPAC1-(4-propoxyphenyl)pentan-1-amine
SMILESCCCCC(N)c1ccc(OCCC)cc1
InChIInChI=1S/C14H23NO/c1-3-5-6-14(15)12-7-9-13(10-8-12)16-11-4-2/h7-10,14H,3-6,11,15H2,1-2H3
InChIKeyONDSQJYCJOQPBM-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-propoxyphenyl)pentan-1-amine

1-(4-propoxyphenyl)pentan-1-amine (PubChem CID 79016312) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-propoxyphenyl)pentan-1-amine
PubChem CID79016312
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-propoxyphenyl)pentan-1-amine
SMILESCCCCC(N)c1ccc(OCCC)cc1
InChIInChI=1S/C14H23NO/c1-3-5-6-14(15)12-7-9-13(10-8-12)16-11-4-2/h7-10,14H,3-6,11,15H2,1-2H3
InChIKeyONDSQJYCJOQPBM-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
3-amino-3-(4-decoxyphenyl)propan-1-ol
CID 170874519
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
CID 171226877
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)pentan-1-amine?
The IUPAC name of 1-(4-propoxyphenyl)pentan-1-amine (CID 79016312) is 1-(4-propoxyphenyl)pentan-1-amine.
What is the SMILES notation for 1-(4-propoxyphenyl)pentan-1-amine?
The canonical SMILES for 1-(4-propoxyphenyl)pentan-1-amine is CCCCC(N)c1ccc(OCCC)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)pentan-1-amine?
The InChIKey is ONDSQJYCJOQPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-6-14(15)12-7-9-13(10-8-12)16-11-4-2/h7-10,14H,3-6,11,15H2,1-2H3.
What are the key properties of 1-(4-propoxyphenyl)pentan-1-amine?
1-(4-propoxyphenyl)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)pentan-1-amine is sourced from PubChem (CID 79016312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).