N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine

C17H20N2 — CID 55030697

IUPACN-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine
SMILESNCC(NC1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c18-12-17(19-16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17,19H,10-12,18H2
InChIKeyVLDXNMRSGRQXDU-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.11
Rot. Bonds5

About N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine

N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine (PubChem CID 55030697) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine
PubChem CID55030697
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine
SMILESNCC(NC1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c18-12-17(19-16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17,19H,10-12,18H2
InChIKeyVLDXNMRSGRQXDU-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine (CID 55030697) is N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine is NCC(NC1CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine?
The InChIKey is VLDXNMRSGRQXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-12-17(19-16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17,19H,10-12,18H2.
What are the key properties of N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine?
N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55030697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).