N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline

C19H23NO — CID 43764004

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
SMILESCOc1ccc(C(Nc2cc(C)cc(C)c2)C2CC2)cc1
InChIInChI=1S/C19H23NO/c1-13-10-14(2)12-17(11-13)20-19(15-4-5-15)16-6-8-18(21-3)9-7-16/h6-12,15,19-20H,4-5H2,1-3H3
InChIKeyVQXPVDHDSWZZAB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.88
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline (PubChem CID 43764004) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
PubChem CID43764004
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
SMILESCOc1ccc(C(Nc2cc(C)cc(C)c2)C2CC2)cc1
InChIInChI=1S/C19H23NO/c1-13-10-14(2)12-17(11-13)20-19(15-4-5-15)16-6-8-18(21-3)9-7-16/h6-12,15,19-20H,4-5H2,1-3H3
InChIKeyVQXPVDHDSWZZAB-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
CID 43755230
2-bromo-5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 81267879
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43763348

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline (CID 43764004) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline is COc1ccc(C(Nc2cc(C)cc(C)c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline?
The InChIKey is VQXPVDHDSWZZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-10-14(2)12-17(11-13)20-19(15-4-5-15)16-6-8-18(21-3)9-7-16/h6-12,15,19-20H,4-5H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline has a molecular weight of 281.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 43764004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).