1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine

C13H18ClNO — CID 62718017

IUPAC1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C13H18ClNO/c1-15-9-13(6-7-16-10-13)8-11-2-4-12(14)5-3-11/h2-5,15H,6-10H2,1H3
InChIKeyDCFXCJJLYNMBTO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.51
Rot. Bonds4

About 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine

1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine (PubChem CID 62718017) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
PubChem CID62718017
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C13H18ClNO/c1-15-9-13(6-7-16-10-13)8-11-2-4-12(14)5-3-11/h2-5,15H,6-10H2,1H3
InChIKeyDCFXCJJLYNMBTO-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260904
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 62719550
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007
1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906604
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166
N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719558
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55111579
3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine (CID 62718017) is 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine is CNCC1(Cc2ccc(Cl)cc2)CCOC1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
The InChIKey is DCFXCJJLYNMBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-9-13(6-7-16-10-13)8-11-2-4-12(14)5-3-11/h2-5,15H,6-10H2,1H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine?
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62718017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).