1-(4-propoxyphenyl)propan-1-amine

C12H19NO — CID 16783118

IUPAC1-(4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C12H19NO/c1-3-9-14-11-7-5-10(6-8-11)12(13)4-2/h5-8,12H,3-4,9,13H2,1-2H3
InChIKeyUXBGKVYPMODQSH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.89
Rot. Bonds5

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

1-(4-propoxyphenyl)propan-1-amine (PubChem CID 16783118) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-propoxyphenyl)propan-1-amine
PubChem CID16783118
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C12H19NO/c1-3-9-14-11-7-5-10(6-8-11)12(13)4-2/h5-8,12H,3-4,9,13H2,1-2H3
InChIKeyUXBGKVYPMODQSH-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-propoxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)propan-1-amine?
The IUPAC name of 1-(4-propoxyphenyl)propan-1-amine (CID 16783118) is 1-(4-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-propoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(4-propoxyphenyl)propan-1-amine is CCCOc1ccc(C(N)CC)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)propan-1-amine?
The InChIKey is UXBGKVYPMODQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9-14-11-7-5-10(6-8-11)12(13)4-2/h5-8,12H,3-4,9,13H2,1-2H3.
What are the key properties of 1-(4-propoxyphenyl)propan-1-amine?
1-(4-propoxyphenyl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 16783118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).