1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine

C13H17Cl2N — CID 43317354

IUPAC1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
SMILESClc1ccc(CNCC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2N/c14-12-6-5-11(13(15)7-12)9-16-8-10-3-1-2-4-10/h5-7,10,16H,1-4,8-9H2
InChIKeyYJLMMNZAMXNVIA-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.27
Rot. Bonds4

About 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine

1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine (PubChem CID 43317354) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
PubChem CID43317354
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
SMILESClc1ccc(CNCC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2N/c14-12-6-5-11(13(15)7-12)9-16-8-10-3-1-2-4-10/h5-7,10,16H,1-4,8-9H2
InChIKeyYJLMMNZAMXNVIA-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutan-1-ol
CID 66005122
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
N-[(2,4-dichlorophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207914
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65026126
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine
CID 111197584

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine (CID 43317354) is 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine is Clc1ccc(CNCC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine?
The InChIKey is YJLMMNZAMXNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-12-6-5-11(13(15)7-12)9-16-8-10-3-1-2-4-10/h5-7,10,16H,1-4,8-9H2.
What are the key properties of 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine?
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine has a molecular weight of 258.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine is sourced from PubChem (CID 43317354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).