3-(3-phenylpropoxy)-N-propylpropan-1-amine

C15H25NO — CID 62485607

IUPAC3-(3-phenylpropoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-2-11-16-12-7-14-17-13-6-10-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyMOMYCBJEWLZOOJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.03
Rot. Bonds10

About 3-(3-phenylpropoxy)-N-propylpropan-1-amine

3-(3-phenylpropoxy)-N-propylpropan-1-amine (PubChem CID 62485607) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(3-phenylpropoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-phenylpropoxy)-N-propylpropan-1-amine
PubChem CID62485607
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(3-phenylpropoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-2-11-16-12-7-14-17-13-6-10-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyMOMYCBJEWLZOOJ-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.03
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-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
3-decoxypropylbenzene
CID 150065328
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
3-(propylamino)propyl 3-phenylpropanoate
CID 82532717
10-butoxydecylbenzene
CID 151496754
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
4-octadecoxybutylbenzene
CID 70977182

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropoxy)-N-propylpropan-1-amine?
The IUPAC name of 3-(3-phenylpropoxy)-N-propylpropan-1-amine (CID 62485607) is 3-(3-phenylpropoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-phenylpropoxy)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-phenylpropoxy)-N-propylpropan-1-amine is CCCNCCCOCCCc1ccccc1.
What is the InChIKey of 3-(3-phenylpropoxy)-N-propylpropan-1-amine?
The InChIKey is MOMYCBJEWLZOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-11-16-12-7-14-17-13-6-10-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of 3-(3-phenylpropoxy)-N-propylpropan-1-amine?
3-(3-phenylpropoxy)-N-propylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 62485607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).