N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine

C17H19Cl2N — CID 65316287

IUPACN-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-12(2)14-5-3-13(4-6-14)10-20-11-15-9-16(18)7-8-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyKDCHUYHQXAGCPK-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.41
Rot. Bonds5

About N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 65316287) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID65316287
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-12(2)14-5-3-13(4-6-14)10-20-11-15-9-16(18)7-8-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyKDCHUYHQXAGCPK-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 11254350
4-chloro-N-[(2,5-dichlorophenyl)methyl]-2-methylbutan-1-amine
CID 66092712
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81360024
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
1-chloro-N-[(2,5-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 79244144

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 65316287) is N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(CNCc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is KDCHUYHQXAGCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-12(2)14-5-3-13(4-6-14)10-20-11-15-9-16(18)7-8-17(15)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 308.25 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 65316287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).