2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline

C16H15Cl2N — CID 79979680

IUPAC2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline
SMILESClc1ccc(NCc2ccccc2C2CC2)c(Cl)c1
InChIInChI=1S/C16H15Cl2N/c17-13-7-8-16(15(18)9-13)19-10-12-3-1-2-4-14(12)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2
InChIKeyNZDHTTMRXOPDGC-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.48
Rot. Bonds4

About 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline

2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline (PubChem CID 79979680) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline
PubChem CID79979680
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline
SMILESClc1ccc(NCc2ccccc2C2CC2)c(Cl)c1
InChIInChI=1S/C16H15Cl2N/c17-13-7-8-16(15(18)9-13)19-10-12-3-1-2-4-14(12)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2
InChIKeyNZDHTTMRXOPDGC-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-chloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 81263184
4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine
CID 83167265
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 83077048
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
CID 79979547
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
CID 107364179
N-[(2-cyclopropylphenyl)methyl]naphthalen-1-amine
CID 79968305
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
CID 79968726

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline (CID 79979680) is 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline is Clc1ccc(NCc2ccccc2C2CC2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline?
The InChIKey is NZDHTTMRXOPDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-13-7-8-16(15(18)9-13)19-10-12-3-1-2-4-14(12)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2.
What are the key properties of 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline?
2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline has a molecular weight of 292.21 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline is sourced from PubChem (CID 79979680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).