2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C16H27ClN2O — CID 61036792

IUPAC2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCOc1ccc(Cl)cc1CNC(CC(C)C)CN(C)C
InChIInChI=1S/C16H27ClN2O/c1-12(2)8-15(11-19(3)4)18-10-13-9-14(17)6-7-16(13)20-5/h6-7,9,12,15,18H,8,10-11H2,1-5H3
InChIKeyPSWVPUOZWQBERC-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.41
Rot. Bonds8

About 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 61036792) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID61036792
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCOc1ccc(Cl)cc1CNC(CC(C)C)CN(C)C
InChIInChI=1S/C16H27ClN2O/c1-12(2)8-15(11-19(3)4)18-10-13-9-14(17)6-7-16(13)20-5/h6-7,9,12,15,18H,8,10-11H2,1-5H3
InChIKeyPSWVPUOZWQBERC-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65026055
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43751596
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 61036792) is 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is COc1ccc(Cl)cc1CNC(CC(C)C)CN(C)C.
What is the InChIKey of 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is PSWVPUOZWQBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-12(2)8-15(11-19(3)4)18-10-13-9-14(17)6-7-16(13)20-5/h6-7,9,12,15,18H,8,10-11H2,1-5H3.
What are the key properties of 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 61036792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).