1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol

C14H21NO — CID 117111973

IUPAC1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(C)(N)Cc1cccc(CC2(O)CC2)c1
InChIInChI=1S/C14H21NO/c1-13(2,15)9-11-4-3-5-12(8-11)10-14(16)6-7-14/h3-5,8,16H,6-7,9-10,15H2,1-2H3
InChIKeyZTIYDRIYKPAGAI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.03
Rot. Bonds4

About 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol

1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117111973) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117111973
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(C)(N)Cc1cccc(CC2(O)CC2)c1
InChIInChI=1S/C14H21NO/c1-13(2,15)9-11-4-3-5-12(8-11)10-14(16)6-7-14/h3-5,8,16H,6-7,9-10,15H2,1-2H3
InChIKeyZTIYDRIYKPAGAI-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
CID 117111535
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol
CID 117117472
1-[4-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117111968
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117368545
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol (CID 117111973) is 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol is CC(C)(N)Cc1cccc(CC2(O)CC2)c1.
What is the InChIKey of 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is ZTIYDRIYKPAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2,15)9-11-4-3-5-12(8-11)10-14(16)6-7-14/h3-5,8,16H,6-7,9-10,15H2,1-2H3.
What are the key properties of 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol?
1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117111973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).