N-[(2,4-dichlorophenyl)methyl]pentan-1-amine

C12H17Cl2N — CID 4716694

IUPACN-[(2,4-dichlorophenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-3-4-7-15-9-10-5-6-11(13)8-12(10)14/h5-6,8,15H,2-4,7,9H2,1H3
InChIKeyJCMDHEQAKQDTBX-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.27
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]pentan-1-amine

N-[(2,4-dichlorophenyl)methyl]pentan-1-amine (PubChem CID 4716694) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]pentan-1-amine
PubChem CID4716694
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-3-4-7-15-9-10-5-6-11(13)8-12(10)14/h5-6,8,15H,2-4,7,9H2,1H3
InChIKeyJCMDHEQAKQDTBX-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2,4-dichlorophenyl)methyl]heptan-1-amine;oxalic acid
CID 163328902
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 66532640
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]pentan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]pentan-1-amine (CID 4716694) is N-[(2,4-dichlorophenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]pentan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]pentan-1-amine is CCCCCNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]pentan-1-amine?
The InChIKey is JCMDHEQAKQDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-2-3-4-7-15-9-10-5-6-11(13)8-12(10)14/h5-6,8,15H,2-4,7,9H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]pentan-1-amine?
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 4716694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).