N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine

C25H29NO — CID 86174020

IUPACN-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO/c1-4-12-22(13-5-1)14-10-19-26-20-11-21-27-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,25-26H,10-11,14,19-21H2
InChIKeyNSBSZOCHSJZTHV-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.41
Rot. Bonds11

About N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine

N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine (PubChem CID 86174020) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
PubChem CID86174020
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO/c1-4-12-22(13-5-1)14-10-19-26-20-11-21-27-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,25-26H,10-11,14,19-21H2
InChIKeyNSBSZOCHSJZTHV-UHFFFAOYSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.41
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

3-benzhydryloxypropylbenzene
CID 11255103
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-(2-phenylethyl)propane-1,3-diamine
CID 10788465
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
CID 86174014
1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
CID 57070167
2-(3-phenylpropylamino)ethanol
CID 19012091

Frequently Asked Questions

What is the IUPAC name of N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine?
The IUPAC name of N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine (CID 86174020) is N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine is c1ccc(CCCNCCCOC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine?
The InChIKey is NSBSZOCHSJZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-4-12-22(13-5-1)14-10-19-26-20-11-21-27-25(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,12-13,15-18,25-26H,10-11,14,19-21H2.
What are the key properties of N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine?
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine has a molecular weight of 359.51 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 86174020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).