(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol

C14H21NO — CID 97035285

IUPAC(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
SMILESCc1ccccc1[C@H](O)C1(CN)CC(C)C1
InChIInChI=1S/C14H21NO/c1-10-7-14(8-10,9-15)13(16)12-6-4-3-5-11(12)2/h3-6,10,13,16H,7-9,15H2,1-2H3/t10?,13-,14?/m0/s1
InChIKeyZQWDYHKYTISTTD-AWAWDMARSA-N
MW219.33 g/mol
LogP2.40
Rot. Bonds3

About (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol

(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol (PubChem CID 97035285) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
PubChem CID97035285
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
SMILESCc1ccccc1[C@H](O)C1(CN)CC(C)C1
InChIInChI=1S/C14H21NO/c1-10-7-14(8-10,9-15)13(16)12-6-4-3-5-11(12)2/h3-6,10,13,16H,7-9,15H2,1-2H3/t10?,13-,14?/m0/s1
InChIKeyZQWDYHKYTISTTD-AWAWDMARSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
[1-(aminomethyl)-3-methylcyclopentyl]-(2,5-dimethylphenyl)methanol
CID 79138249
[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol
CID 102547503
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
CID 97035266
[1-(aminomethyl)-3-methylcyclopentyl]-[2-(difluoromethoxy)phenyl]methanol
CID 79134784
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
1-adamantyl-(2-methylphenyl)methanol
CID 63410950
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
CID 79138258
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
CID 79137764
[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol
CID 79124362
1-[hydroxy-(2-methylphenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79136969

Frequently Asked Questions

What is the IUPAC name of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol?
The IUPAC name of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol (CID 97035285) is (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol.
What is the SMILES notation for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol?
The canonical SMILES for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol is Cc1ccccc1[C@H](O)C1(CN)CC(C)C1.
What is the InChIKey of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol?
The InChIKey is ZQWDYHKYTISTTD-AWAWDMARSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-14(8-10,9-15)13(16)12-6-4-3-5-11(12)2/h3-6,10,13,16H,7-9,15H2,1-2H3/t10?,13-,14?/m0/s1.
What are the key properties of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol?
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol has a molecular weight of 219.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol is sourced from PubChem (CID 97035285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).