3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline

C16H15Cl2N — CID 63422408

IUPAC3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
SMILESClc1cc(Cl)cc(NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C16H15Cl2N/c17-13-8-14(18)10-15(9-13)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2
InChIKeyRRSLRRSXXYDYFA-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.56
Rot. Bonds4

About 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline

3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline (PubChem CID 63422408) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
PubChem CID63422408
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
SMILESClc1cc(Cl)cc(NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C16H15Cl2N/c17-13-8-14(18)10-15(9-13)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2
InChIKeyRRSLRRSXXYDYFA-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
CID 55199390
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 55197692
3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
CID 30037407

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline (CID 63422408) is 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline is Clc1cc(Cl)cc(NC(c2ccccc2)C2CC2)c1.
What is the InChIKey of 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline?
The InChIKey is RRSLRRSXXYDYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-13-8-14(18)10-15(9-13)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2.
What are the key properties of 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline?
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline has a molecular weight of 292.21 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline is sourced from PubChem (CID 63422408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).