2,4-dichloro-N-(cyclobutylmethyl)aniline

C11H13Cl2N — CID 65458024

IUPAC2,4-dichloro-N-(cyclobutylmethyl)aniline
SMILESClc1ccc(NCC2CCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c12-9-4-5-11(10(13)6-9)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7H2
InChIKeyHFEKDIMAIRAOMT-UHFFFAOYSA-N
MW230.14 g/mol
LogP4.21
Rot. Bonds3

About 2,4-dichloro-N-(cyclobutylmethyl)aniline

2,4-dichloro-N-(cyclobutylmethyl)aniline (PubChem CID 65458024) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 2,4-dichloro-N-(cyclobutylmethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(cyclobutylmethyl)aniline
PubChem CID65458024
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name2,4-dichloro-N-(cyclobutylmethyl)aniline
SMILESClc1ccc(NCC2CCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c12-9-4-5-11(10(13)6-9)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7H2
InChIKeyHFEKDIMAIRAOMT-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939562
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
N-[(4-tert-butylcyclohexyl)methyl]-2-chloro-4-methylaniline
CID 104574833
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
4-chloro-2-methyl-N-(oxan-4-ylmethyl)aniline
CID 62386096
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(cyclobutylmethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(cyclobutylmethyl)aniline (CID 65458024) is 2,4-dichloro-N-(cyclobutylmethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(cyclobutylmethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(cyclobutylmethyl)aniline is Clc1ccc(NCC2CCC2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(cyclobutylmethyl)aniline?
The InChIKey is HFEKDIMAIRAOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-9-4-5-11(10(13)6-9)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7H2.
What are the key properties of 2,4-dichloro-N-(cyclobutylmethyl)aniline?
2,4-dichloro-N-(cyclobutylmethyl)aniline has a molecular weight of 230.14 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(cyclobutylmethyl)aniline is sourced from PubChem (CID 65458024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).