1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C14H20ClNO — CID 82835073

IUPAC1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccccc2Cl)O1
InChIInChI=1S/C14H20ClNO/c1-10-7-8-12(17-10)9-16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyUGOXSJLUBXXNNV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 82835073) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID82835073
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccccc2Cl)O1
InChIInChI=1S/C14H20ClNO/c1-10-7-8-12(17-10)9-16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyUGOXSJLUBXXNNV-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834051
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
1-(2-chlorophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521330
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine
CID 124572307
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 82835073) is 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CNC(C)c2ccccc2Cl)O1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is UGOXSJLUBXXNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-7-8-12(17-10)9-16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82835073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).