N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine

C18H21Cl2N — CID 105050234

IUPACN-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-7-13-8-5-9-14(12-13)18(21-4-2)17-15(19)10-6-11-16(17)20/h5-6,8-12,18,21H,3-4,7H2,1-2H3
InChIKeyHYDLYMWSMRMHPZ-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.64
Rot. Bonds6

About N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine

N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 105050234) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID105050234
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-7-13-8-5-9-14(12-13)18(21-4-2)17-15(19)10-6-11-16(17)20/h5-6,8-12,18,21H,3-4,7H2,1-2H3
InChIKeyHYDLYMWSMRMHPZ-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544842
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine (CID 105050234) is N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is HYDLYMWSMRMHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-7-13-8-5-9-14(12-13)18(21-4-2)17-15(19)10-6-11-16(17)20/h5-6,8-12,18,21H,3-4,7H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 105050234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).