2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline

C17H17Cl2N — CID 104725967

IUPAC2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
SMILESCc1cc(Cl)c(NCc2cccc(C3CC3)c2)cc1Cl
InChIInChI=1S/C17H17Cl2N/c1-11-7-16(19)17(9-15(11)18)20-10-12-3-2-4-14(8-12)13-5-6-13/h2-4,7-9,13,20H,5-6,10H2,1H3
InChIKeyVYLSPQUBVJVJTM-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.79
Rot. Bonds4

About 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline

2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline (PubChem CID 104725967) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
PubChem CID104725967
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
SMILESCc1cc(Cl)c(NCc2cccc(C3CC3)c2)cc1Cl
InChIInChI=1S/C17H17Cl2N/c1-11-7-16(19)17(9-15(11)18)20-10-12-3-2-4-14(8-12)13-5-6-13/h2-4,7-9,13,20H,5-6,10H2,1H3
InChIKeyVYLSPQUBVJVJTM-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104726372
N-[(4-tert-butylphenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726041

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline (CID 104725967) is 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline is Cc1cc(Cl)c(NCc2cccc(C3CC3)c2)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline?
The InChIKey is VYLSPQUBVJVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-11-7-16(19)17(9-15(11)18)20-10-12-3-2-4-14(8-12)13-5-6-13/h2-4,7-9,13,20H,5-6,10H2,1H3.
What are the key properties of 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline?
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline has a molecular weight of 306.24 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 104725967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).