5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline

C15H19Cl2N — CID 114846715

IUPAC5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline
SMILESClCc1ccc(Cl)cc1N(CC1CC1)CC1CC1
InChIInChI=1S/C15H19Cl2N/c16-8-13-5-6-14(17)7-15(13)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,8-10H2
InChIKeyMVVQMLLVMUXGII-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.71
Rot. Bonds6

About 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline

5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline (PubChem CID 114846715) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline
PubChem CID114846715
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline
SMILESClCc1ccc(Cl)cc1N(CC1CC1)CC1CC1
InChIInChI=1S/C15H19Cl2N/c16-8-13-5-6-14(17)7-15(13)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,8-10H2
InChIKeyMVVQMLLVMUXGII-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(chloromethyl)-N,N-bis(2-methylpropyl)aniline
CID 114846444
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 114849135
5-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114846672
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465
4-chloro-N,N-bis(cyclopropylmethyl)-2-(propylaminomethyl)aniline
CID 114851666
5-chloro-2-(chloromethyl)-N-(4,4-dimethylcyclohexyl)-N-methylaniline
CID 114846780
2-(bromomethyl)-5-chloro-N-(cyclobutylmethyl)-N-methylaniline
CID 107082881
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81166471
5-chloro-2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114846814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline?
The IUPAC name of 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline (CID 114846715) is 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline?
The canonical SMILES for 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline is ClCc1ccc(Cl)cc1N(CC1CC1)CC1CC1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline?
The InChIKey is MVVQMLLVMUXGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c16-8-13-5-6-14(17)7-15(13)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,8-10H2.
What are the key properties of 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline?
5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline has a molecular weight of 284.23 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline is sourced from PubChem (CID 114846715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).