N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine

C18H20Cl2N2 — CID 18728431

IUPACN-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2/c1-13(2)22-11-15-8-6-14(7-9-15)10-21-12-16-17(19)4-3-5-18(16)20/h3-9,21-22H,1,10-12H2,2H3
InChIKeyAQCGNTXPZMXEEZ-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.91
Rot. Bonds7

About N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine

N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine (PubChem CID 18728431) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine
PubChem CID18728431
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC NameN-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2/c1-13(2)22-11-15-8-6-14(7-9-15)10-21-12-16-17(19)4-3-5-18(16)20/h3-9,21-22H,1,10-12H2,2H3
InChIKeyAQCGNTXPZMXEEZ-UHFFFAOYSA-N
XLogP4.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
CID 115603316
N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899463
4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28538578
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 63746803
4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456
N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
CID 20647301
1-(2-chloro-6-prop-1-en-2-ylphenyl)-N-[(4-ethenylphenyl)methyl]ethenamine
CID 166763286
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
3-chloro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 115699232

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine (CID 18728431) is N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine is C=C(C)NCc1ccc(CNCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine?
The InChIKey is AQCGNTXPZMXEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c1-13(2)22-11-15-8-6-14(7-9-15)10-21-12-16-17(19)4-3-5-18(16)20/h3-9,21-22H,1,10-12H2,2H3.
What are the key properties of N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine?
N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine has a molecular weight of 335.28 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 18728431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).