N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine

C16H25ClN2 — CID 103069606

IUPACN-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-13(10-18-16(2,3)4)11-19(5)12-14-7-6-8-15(17)9-14/h6-9,18H,1,10-12H2,2-5H3
InChIKeyJCOSHQNBJLOGBR-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.72
Rot. Bonds6

About N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine

N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069606) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103069606
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-13(10-18-16(2,3)4)11-19(5)12-14-7-6-8-15(17)9-14/h6-9,18H,1,10-12H2,2-5H3
InChIKeyJCOSHQNBJLOGBR-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Clobenzorex
CID 735998
4-chloro-N-cyclopentylbenzylamine
CID 834083
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
1-(3-Chlorobenzyl)piperazine
CID 764727
[2-(3-Chlorophenyl)ethyl](methyl)amine
CID 10583272
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103069606) is N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CNC(C)(C)C)CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is JCOSHQNBJLOGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(10-18-16(2,3)4)11-19(5)12-14-7-6-8-15(17)9-14/h6-9,18H,1,10-12H2,2-5H3.
What are the key properties of N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).