1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine

C16H25ClN2O — CID 104816340

IUPAC1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)N(C)CC1CCCC1
InChIInChI=1S/C16H25ClN2O/c1-19(11-12-6-3-4-7-12)14(10-18)16-13(17)8-5-9-15(16)20-2/h5,8-9,12,14H,3-4,6-7,10-11,18H2,1-2H3
InChIKeyUREFFDDJGAHEMS-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.47
Rot. Bonds6

About 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine

1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine (PubChem CID 104816340) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
PubChem CID104816340
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)N(C)CC1CCCC1
InChIInChI=1S/C16H25ClN2O/c1-19(11-12-6-3-4-7-12)14(10-18)16-13(17)8-5-9-15(16)20-2/h5,8-9,12,14H,3-4,6-7,10-11,18H2,1-2H3
InChIKeyUREFFDDJGAHEMS-UHFFFAOYSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 104816327
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 104816241
1-(3-bromo-4-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 63631391
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
1-(3-bromo-4-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444308
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 65021924
1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 104816310
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-6-methoxyphenyl)-N-methylethane-1,2-diamine
CID 104816285
[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360404

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine (CID 104816340) is 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine is COc1cccc(Cl)c1C(CN)N(C)CC1CCCC1.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is UREFFDDJGAHEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-19(11-12-6-3-4-7-12)14(10-18)16-13(17)8-5-9-15(16)20-2/h5,8-9,12,14H,3-4,6-7,10-11,18H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine?
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 296.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 104816340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).