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

C12H16ClNO — CID 97358120

IUPAC(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-9-12(6-7-15-9)14-8-10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m1/s1
InChIKeyMMYHVTIIUGNPHS-BXKDBHETSA-N
MW225.72 g/mol
LogP2.61
Rot. Bonds3

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

(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine (PubChem CID 97358120) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
PubChem CID97358120
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@H]1NCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-9-12(6-7-15-9)14-8-10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m1/s1
InChIKeyMMYHVTIIUGNPHS-BXKDBHETSA-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

N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335523
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
CID 115336489
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 82726060
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
(2S,3S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]oxolan-3-amine
CID 97107434
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
N-[(4-chloro-3-nitrophenyl)methyl]-2-methyloxolan-3-amine
CID 82725055
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 82725756

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine (CID 97358120) is (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine is C[C@H]1OCC[C@H]1NCc1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is MMYHVTIIUGNPHS-BXKDBHETSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-12(6-7-15-9)14-8-10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m1/s1.
What are the key properties of (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine?
(2R,3R)-N-[(4-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 (2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 97358120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).