N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine

C20H27N — CID 3678

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IUPACN-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
SMILESCCN(CCCc1ccccc1)CCCc1ccccc1
InChIInChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKeyZPFXAOWNKLFJDN-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.57
Rot. Bonds9

About N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine

N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine (PubChem CID 3678) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
PubChem CID3678
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
SMILESCCN(CCCc1ccccc1)CCCc1ccccc1
InChIInChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKeyZPFXAOWNKLFJDN-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine?
The IUPAC name of N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine (CID 3678) is N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine is CCN(CCCc1ccccc1)CCCc1ccccc1.
What is the InChIKey of N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine?
The InChIKey is ZPFXAOWNKLFJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3.
What are the key properties of N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine?
N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine is sourced from PubChem (CID 3678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).