N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C16H25ClN2O — CID 82835310

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)C(C)c2cccc(Cl)c2)O1
InChIInChI=1S/C16H25ClN2O/c1-11-7-8-16(20-11)15(10-18)19(3)12(2)13-5-4-6-14(17)9-13/h4-6,9,11-12,15-16H,7-8,10,18H2,1-3H3
InChIKeyUKPYAZHMSNLNJR-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.23
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835310) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82835310
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)C(C)c2cccc(Cl)c2)O1
InChIInChI=1S/C16H25ClN2O/c1-11-7-8-16(20-11)15(10-18)19(3)12(2)13-5-4-6-14(17)9-13/h4-6,9,11-12,15-16H,7-8,10,18H2,1-3H3
InChIKeyUKPYAZHMSNLNJR-UHFFFAOYSA-N
XLogP3.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844
N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835693
[2-(3-chlorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105283507
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744863
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
CID 96555027
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835107
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 82835297
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylcyclobutan-1-amine
CID 79520737

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82835310) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)N(C)C(C)c2cccc(Cl)c2)O1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is UKPYAZHMSNLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11-7-8-16(20-11)15(10-18)19(3)12(2)13-5-4-6-14(17)9-13/h4-6,9,11-12,15-16H,7-8,10,18H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 296.84 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).