[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone

C13H16ClNO3 — CID 116589251

IUPAC[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CCC(CN)O2)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-12-6-8(2-4-10(12)14)13(16)11-5-3-9(7-15)18-11/h2,4,6,9,11H,3,5,7,15H2,1H3
InChIKeyKAZMHKYTNAKVLC-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.04
Rot. Bonds4

About [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone

[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone (PubChem CID 116589251) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
PubChem CID116589251
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CCC(CN)O2)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-12-6-8(2-4-10(12)14)13(16)11-5-3-9(7-15)18-11/h2,4,6,9,11H,3,5,7,15H2,1H3
InChIKeyKAZMHKYTNAKVLC-UHFFFAOYSA-N
XLogP2.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
CID 120783154
[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
CID 116589032
[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone
CID 116589142
[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
CID 116589113
(2S,5R)-5-(aminomethyl)-N-[(4-chloro-2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120792654
(2S,5R)-5-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120788549
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79697155
1-[5-(aminomethyl)oxolan-2-yl]-2-(2,5-dichlorophenyl)ethanone
CID 116589208
(2S,5R)-5-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)oxolane-2-carboxamide
CID 120786894
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180
(2S,5R)-5-(aminomethyl)-N-(3,4,5-trimethoxyphenyl)oxolane-2-carboxamide
CID 120782760

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone (CID 116589251) is [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone is COc1cc(C(=O)C2CCC(CN)O2)ccc1Cl.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone?
The InChIKey is KAZMHKYTNAKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-17-12-6-8(2-4-10(12)14)13(16)11-5-3-9(7-15)18-11/h2,4,6,9,11H,3,5,7,15H2,1H3.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone has a molecular weight of 269.73 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone is sourced from PubChem (CID 116589251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).