N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine

C18H20N2O — CID 144916276

IUPACN-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine
SMILESCc1cccc(C(NCC2CC2)c2ccc(N=O)cc2)c1
InChIInChI=1S/C18H20N2O/c1-13-3-2-4-16(11-13)18(19-12-14-5-6-14)15-7-9-17(20-21)10-8-15/h2-4,7-11,14,18-19H,5-6,12H2,1H3
InChIKeyCCECBKAGEMGMNR-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.48
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine

N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine (PubChem CID 144916276) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine
PubChem CID144916276
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine
SMILESCc1cccc(C(NCC2CC2)c2ccc(N=O)cc2)c1
InChIInChI=1S/C18H20N2O/c1-13-3-2-4-16(11-13)18(19-12-14-5-6-14)15-7-9-17(20-21)10-8-15/h2-4,7-11,14,18-19H,5-6,12H2,1H3
InChIKeyCCECBKAGEMGMNR-UHFFFAOYSA-N
XLogP4.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine (CID 144916276) is N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine is Cc1cccc(C(NCC2CC2)c2ccc(N=O)cc2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine?
The InChIKey is CCECBKAGEMGMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-3-2-4-16(11-13)18(19-12-14-5-6-14)15-7-9-17(20-21)10-8-15/h2-4,7-11,14,18-19H,5-6,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine?
N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine has a molecular weight of 280.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-nitrosophenyl)methanamine is sourced from PubChem (CID 144916276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).