[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

C16H22ClNO — CID 106869658

IUPAC[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESCc1ccc(CC2(CN)CCOC2C2CC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-11-2-3-13(14(17)8-11)9-16(10-18)6-7-19-15(16)12-4-5-12/h2-3,8,12,15H,4-7,9-10,18H2,1H3
InChIKeyWMRBNCPHWJRCMU-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.33
Rot. Bonds4

About [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (PubChem CID 106869658) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
PubChem CID106869658
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESCc1ccc(CC2(CN)CCOC2C2CC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-11-2-3-13(14(17)8-11)9-16(10-18)6-7-19-15(16)12-4-5-12/h2-3,8,12,15H,4-7,9-10,18H2,1H3
InChIKeyWMRBNCPHWJRCMU-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine with MolForge

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Related Compounds

3-[(4-bromo-2-chlorophenyl)methyl]-3-(bromomethyl)-2-cyclopropyloxolane
CID 113471676
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
[3-[(4-bromo-2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534026
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509406
[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
CID 114858962
3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
CID 107310849
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 104810974
[3-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510390
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The IUPAC name of [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (CID 106869658) is [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is Cc1ccc(CC2(CN)CCOC2C2CC2)c(Cl)c1.
What is the InChIKey of [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The InChIKey is WMRBNCPHWJRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11-2-3-13(14(17)8-11)9-16(10-18)6-7-19-15(16)12-4-5-12/h2-3,8,12,15H,4-7,9-10,18H2,1H3.
What are the key properties of [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine has a molecular weight of 279.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is sourced from PubChem (CID 106869658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).