1-[2-(4-phenylbutoxy)phenyl]propan-2-amine

C19H25NO — CID 114334354

IUPAC1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(20)15-18-12-5-6-13-19(18)21-14-8-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,16H,7-8,11,14-15,20H2,1H3
InChIKeyCGDNNDOMAQJVIK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.98
Rot. Bonds8

About 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine

1-[2-(4-phenylbutoxy)phenyl]propan-2-amine (PubChem CID 114334354) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
PubChem CID114334354
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(20)15-18-12-5-6-13-19(18)21-14-8-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,16H,7-8,11,14-15,20H2,1H3
InChIKeyCGDNNDOMAQJVIK-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'}

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Related Compounds

1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 10802941
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanamine
CID 104893814
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine (CID 114334354) is 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1OCCCCc1ccccc1.
What is the InChIKey of 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine?
The InChIKey is CGDNNDOMAQJVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(20)15-18-12-5-6-13-19(18)21-14-8-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,16H,7-8,11,14-15,20H2,1H3.
What are the key properties of 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine?
1-[2-(4-phenylbutoxy)phenyl]propan-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 1-[2-(4-phenylbutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114334354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).