N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

C16H27ClN2 — CID 62272453

IUPACN-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCC(C)(C)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-13(2)18-11-16(3,4)12-19(5)10-14-8-6-7-9-15(14)17/h6-9,13,18H,10-12H2,1-5H3
InChIKeyGKOXCLXYCRYKNO-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.80
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62272453) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62272453
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCC(C)(C)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-13(2)18-11-16(3,4)12-19(5)10-14-8-6-7-9-15(14)17/h6-9,13,18H,10-12H2,1-5H3
InChIKeyGKOXCLXYCRYKNO-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
CID 55056456
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
CID 62270705
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645596
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 62272453) is N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)NCC(C)(C)CN(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is GKOXCLXYCRYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-13(2)18-11-16(3,4)12-19(5)10-14-8-6-7-9-15(14)17/h6-9,13,18H,10-12H2,1-5H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62272453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).