[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone

C18H19NO — CID 163846803

IUPAC[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone
SMILESCc1ccc(NCC2CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-13-7-10-17(19-12-14-8-9-14)16(11-13)18(20)15-5-3-2-4-6-15/h2-7,10-11,14,19H,8-9,12H2,1H3
InChIKeyOQWZZZZDDBNADG-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.05
Rot. Bonds5

About [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone

[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone (PubChem CID 163846803) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone
PubChem CID163846803
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone
SMILESCc1ccc(NCC2CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-13-7-10-17(19-12-14-8-9-14)16(11-13)18(20)15-5-3-2-4-6-15/h2-7,10-11,14,19H,8-9,12H2,1H3
InChIKeyOQWZZZZDDBNADG-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
CID 526490
5-methyl-2-[(4-methylcyclohexyl)methylamino]benzoic acid
CID 55225101
2-(cyclobutylmethylamino)-5-methylbenzoic acid
CID 62514472
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655467
2-[(4-ethylcyclohexyl)methylamino]-5-methylbenzenecarbothioamide
CID 107928838
[4-[(4-methyl-2-nitroanilino)methyl]piperidin-1-yl]-phenylmethanone
CID 133340616
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
N-(cyclopropylmethyl)-2-[1-(dipropylamino)ethenyl]-4-methylaniline
CID 143013293
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
5-methyl-2-(oxan-2-ylmethylamino)benzoic acid
CID 62516569

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone?
The IUPAC name of [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone (CID 163846803) is [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone?
The canonical SMILES for [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone is Cc1ccc(NCC2CC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone?
The InChIKey is OQWZZZZDDBNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-10-17(19-12-14-8-9-14)16(11-13)18(20)15-5-3-2-4-6-15/h2-7,10-11,14,19H,8-9,12H2,1H3.
What are the key properties of [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone?
[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone has a molecular weight of 265.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone is sourced from PubChem (CID 163846803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).