4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride

C10H13Cl2N — CID 53249942

IUPAC4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
SMILESCl.Clc1ccc(NCC2CC2)cc1
InChIInChI=1S/C10H12ClN.ClH/c11-9-3-5-10(6-4-9)12-7-8-1-2-8;/h3-6,8,12H,1-2,7H2;1H
InChIKeyXOSYWXIVLBCUAP-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.58
Rot. Bonds3

About 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride

4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride (PubChem CID 53249942) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
PubChem CID53249942
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
SMILESCl.Clc1ccc(NCC2CC2)cc1
InChIInChI=1S/C10H12ClN.ClH/c11-9-3-5-10(6-4-9)12-7-8-1-2-8;/h3-6,8,12H,1-2,7H2;1H
InChIKeyXOSYWXIVLBCUAP-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(4-chlorophenoxy)-N-(pyrrolidin-3-ylmethyl)aniline
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3-chloro-N-(cyclooctylmethyl)-4-fluoroaniline
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CID 61344637
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
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4-(cyclooctylmethylamino)phenol
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride (CID 53249942) is 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride is Cl.Clc1ccc(NCC2CC2)cc1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride?
The InChIKey is XOSYWXIVLBCUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN.ClH/c11-9-3-5-10(6-4-9)12-7-8-1-2-8;/h3-6,8,12H,1-2,7H2;1H.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride?
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride has a molecular weight of 218.13 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride is sourced from PubChem (CID 53249942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).