(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine

C11H14ClNO — CID 97358491

IUPAC(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8-11(6-7-14-8)13-10-4-2-9(12)3-5-10/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyDVDGSDMKUKPZNY-LDYMZIIASA-N
MW211.69 g/mol
LogP2.93
Rot. Bonds2

About (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine

(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine (PubChem CID 97358491) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
PubChem CID97358491
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8-11(6-7-14-8)13-10-4-2-9(12)3-5-10/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyDVDGSDMKUKPZNY-LDYMZIIASA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
4-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82726591
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol
CID 107679147
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]oxolan-3-amine
CID 82726679
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
2-methyl-N-thiophen-3-yloxolan-3-amine
CID 82719132
N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335523

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine (CID 97358491) is (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine is C[C@H]1OCC[C@H]1Nc1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine?
The InChIKey is DVDGSDMKUKPZNY-LDYMZIIASA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-11(6-7-14-8)13-10-4-2-9(12)3-5-10/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine?
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine has a molecular weight of 211.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).