4-[4-(3-phenylpropoxy)phenyl]butan-2-amine

C19H25NO — CID 43094230

IUPAC4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(20)9-10-18-11-13-19(14-12-18)21-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11-14,16H,5,8-10,15,20H2,1H3
InChIKeyYYMZYQACLXSNPA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.98
Rot. Bonds8

About 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine

4-[4-(3-phenylpropoxy)phenyl]butan-2-amine (PubChem CID 43094230) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
PubChem CID43094230
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(20)9-10-18-11-13-19(14-12-18)21-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11-14,16H,5,8-10,15,20H2,1H3
InChIKeyYYMZYQACLXSNPA-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(3-phenylpropoxy)phenyl]butan-2-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

4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
(2S)-4-phenylbutan-2-amine
CID 6994564
4-[4-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114471370
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103408958
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 61493668
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine (CID 43094230) is 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine is CC(N)CCc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine?
The InChIKey is YYMZYQACLXSNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(20)9-10-18-11-13-19(14-12-18)21-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11-14,16H,5,8-10,15,20H2,1H3.
What are the key properties of 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine?
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-phenylpropoxy)phenyl]butan-2-amine is sourced from PubChem (CID 43094230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).