N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine

C12H16ClNO — CID 75525158

IUPACN-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-9-12(6-7-15-9)14-8-10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3
InChIKeyXGYCKRPKHRRRHB-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.61
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine

N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine (PubChem CID 75525158) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
PubChem CID75525158
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-9-12(6-7-15-9)14-8-10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3
InChIKeyXGYCKRPKHRRRHB-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
N-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725585
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 82726060
N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151
(2S,3R)-N-[(3-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 97102484
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
3-chloro-N'-hydroxy-4-[[(2-methyloxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 102667392

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine (CID 75525158) is N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine is CC1OCCC1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is XGYCKRPKHRRRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-12(6-7-15-9)14-8-10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine?
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine has a molecular weight of 225.72 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 75525158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).