N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine

C28H31N3O — CID 18349622

IUPACN-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine
SMILESCC(C)(NCCCn1ccnc1)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H31N3O/c1-28(2,30-17-6-19-31-20-18-29-22-31)26-13-9-24(10-14-26)25-11-15-27(16-12-25)32-21-23-7-4-3-5-8-23/h3-5,7-16,18,20,22,30H,6,17,19,21H2,1-2H3
InChIKeyLTKSTPZQWLEODE-UHFFFAOYSA-N
MW425.58 g/mol
LogP6.04
Rot. Bonds10

About N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine

N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine (PubChem CID 18349622) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine
PubChem CID18349622
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine
SMILESCC(C)(NCCCn1ccnc1)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H31N3O/c1-28(2,30-17-6-19-31-20-18-29-22-31)26-13-9-24(10-14-26)25-11-15-27(16-12-25)32-21-23-7-4-3-5-8-23/h3-5,7-16,18,20,22,30H,6,17,19,21H2,1-2H3
InChIKeyLTKSTPZQWLEODE-UHFFFAOYSA-N
XLogP6.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(4-phenylmethoxyphenyl)propan-2-amine;dihydrochloride
CID 18349638
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
CID 19429444
[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl] pentanoate
CID 19429473
N-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 18349562
3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 67651862
1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349625
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155316
3-imidazol-1-yl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156523
2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]pentanoic acid
CID 67612775
4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-N,N-dipropylbenzenesulfonamide
CID 18349761
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine (CID 18349622) is N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine is CC(C)(NCCCn1ccnc1)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine?
The InChIKey is LTKSTPZQWLEODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-28(2,30-17-6-19-31-20-18-29-22-31)26-13-9-24(10-14-26)25-11-15-27(16-12-25)32-21-23-7-4-3-5-8-23/h3-5,7-16,18,20,22,30H,6,17,19,21H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine?
N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine has a molecular weight of 425.58 g/mol, XLogP of 6.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine is sourced from PubChem (CID 18349622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).