2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine

C15H23Cl2N — CID 107309635

IUPAC2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1Cl)CC(C)C
InChIInChI=1S/C15H23Cl2N/c1-4-18-10-12(8-11(2)3)9-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyJFABELNNKXTHAV-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.81
Rot. Bonds7

About 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine

2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine (PubChem CID 107309635) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
PubChem CID107309635
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1Cl)CC(C)C
InChIInChI=1S/C15H23Cl2N/c1-4-18-10-12(8-11(2)3)9-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyJFABELNNKXTHAV-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
2-chloro-N-[(2,3-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 107310114
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 107309735
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054
2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 115984184
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 63521196
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine (CID 107309635) is 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine is CCNCC(Cc1cccc(Cl)c1Cl)CC(C)C.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The InChIKey is JFABELNNKXTHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-4-18-10-12(8-11(2)3)9-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 107309635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).