(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol

C14H21NO2 — CID 97035219

IUPAC(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
SMILESCc1ccccc1[C@H](O)C1(CN)CCOCC1
InChIInChI=1S/C14H21NO2/c1-11-4-2-3-5-12(11)13(16)14(10-15)6-8-17-9-7-14/h2-5,13,16H,6-10,15H2,1H3/t13-/m0/s1
InChIKeyMAAVPRROGNOKHH-ZDUSSCGKSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds3

About (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol

(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol (PubChem CID 97035219) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
PubChem CID97035219
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
SMILESCc1ccccc1[C@H](O)C1(CN)CCOCC1
InChIInChI=1S/C14H21NO2/c1-11-4-2-3-5-12(11)13(16)14(10-15)6-8-17-9-7-14/h2-5,13,16H,6-10,15H2,1H3/t13-/m0/s1
InChIKeyMAAVPRROGNOKHH-ZDUSSCGKSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
[4-(aminomethyl)oxan-4-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 79135068
[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
CID 79134603
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
CID 104824016
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120932524
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
3-amino-2-(2-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65186566

Frequently Asked Questions

What is the IUPAC name of (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol?
The IUPAC name of (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol (CID 97035219) is (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol.
What is the SMILES notation for (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol?
The canonical SMILES for (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol is Cc1ccccc1[C@H](O)C1(CN)CCOCC1.
What is the InChIKey of (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol?
The InChIKey is MAAVPRROGNOKHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-2-3-5-12(11)13(16)14(10-15)6-8-17-9-7-14/h2-5,13,16H,6-10,15H2,1H3/t13-/m0/s1.
What are the key properties of (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol?
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol has a molecular weight of 235.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol is sourced from PubChem (CID 97035219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).