[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol

C14H22N2O — CID 113365953

IUPAC[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol
SMILESCC(C)C1(N)CN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C14H22N2O/c1-11(2)14(15)9-16(10-14)7-12-3-5-13(8-17)6-4-12/h3-6,11,17H,7-10,15H2,1-2H3
InChIKeyWFCGPNKCNPFPBO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.35
Rot. Bonds4

About [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol

[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol (PubChem CID 113365953) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol
PubChem CID113365953
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol
SMILESCC(C)C1(N)CN(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C14H22N2O/c1-11(2)14(15)9-16(10-14)7-12-3-5-13(8-17)6-4-12/h3-6,11,17H,7-10,15H2,1-2H3
InChIKeyWFCGPNKCNPFPBO-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110009271
7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131694475
[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
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CID 163258397
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
CID 105359663
1-[(4-carbamoylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984298
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
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[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
CID 117012093

Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol (CID 113365953) is [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol is CC(C)C1(N)CN(Cc2ccc(CO)cc2)C1.
What is the InChIKey of [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol?
The InChIKey is WFCGPNKCNPFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)14(15)9-16(10-14)7-12-3-5-13(8-17)6-4-12/h3-6,11,17H,7-10,15H2,1-2H3.
What are the key properties of [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol?
[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 113365953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).