1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine

C18H21N — CID 142025209

IUPAC1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(C3CC3)cc2)c(C)c1
InChIInChI=1S/C18H21N/c1-13-11-14(12-19-2)3-10-18(13)17-8-6-16(7-9-17)15-4-5-15/h3,6-11,15,19H,4-5,12H2,1-2H3
InChIKeyNVWPBRVQKHMVAF-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine

1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine (PubChem CID 142025209) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine
PubChem CID142025209
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(C3CC3)cc2)c(C)c1
InChIInChI=1S/C18H21N/c1-13-11-14(12-19-2)3-10-18(13)17-8-6-16(7-9-17)15-4-5-15/h3,6-11,15,19H,4-5,12H2,1-2H3
InChIKeyNVWPBRVQKHMVAF-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine (CID 142025209) is 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(-c2ccc(C3CC3)cc2)c(C)c1.
What is the InChIKey of 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is NVWPBRVQKHMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-11-14(12-19-2)3-10-18(13)17-8-6-16(7-9-17)15-4-5-15/h3,6-11,15,19H,4-5,12H2,1-2H3.
What are the key properties of 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine?
1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 142025209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).