N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine

C15H22ClNO — CID 79915895

IUPACN-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1c(Cl)cccc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H22ClNO/c1-10-11(16)7-6-8-12(10)17-13-9-14(2,3)18-15(13,4)5/h6-8,13,17H,9H2,1-5H3
InChIKeyKYZMJYNAEWPOQK-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.41
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79915895) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79915895
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1c(Cl)cccc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H22ClNO/c1-10-11(16)7-6-8-12(10)17-13-9-14(2,3)18-15(13,4)5/h6-8,13,17H,9H2,1-5H3
InChIKeyKYZMJYNAEWPOQK-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine
CID 79907754
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918442
N-(4-chloro-2-iodophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 107632414
6-chloro-N-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 79907143
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81377263
2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
CID 79927517
2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine
CID 79911434
methyl 5-chloro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79907432
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
3-fluoro-4-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzonitrile
CID 79927248
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79915895) is N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine is Cc1c(Cl)cccc1NC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is KYZMJYNAEWPOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-11(16)7-6-8-12(10)17-13-9-14(2,3)18-15(13,4)5/h6-8,13,17H,9H2,1-5H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 267.80 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79915895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).