3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol

C16H24BrNO — CID 66478493

IUPAC3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
SMILESCC1(C)C(C(O)C(CN)c2ccccc2Br)C1(C)C
InChIInChI=1S/C16H24BrNO/c1-15(2)14(16(15,3)4)13(19)11(9-18)10-7-5-6-8-12(10)17/h5-8,11,13-14,19H,9,18H2,1-4H3
InChIKeyQKEJCEVXNPIKIY-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.53
Rot. Bonds4

About 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol

3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol (PubChem CID 66478493) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
PubChem CID66478493
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
SMILESCC1(C)C(C(O)C(CN)c2ccccc2Br)C1(C)C
InChIInChI=1S/C16H24BrNO/c1-15(2)14(16(15,3)4)13(19)11(9-18)10-7-5-6-8-12(10)17/h5-8,11,13-14,19H,9,18H2,1-4H3
InChIKeyQKEJCEVXNPIKIY-UHFFFAOYSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65189456
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CID 103167225
1-amino-2-(2-bromophenyl)-4-methylsulfonylpentan-3-ol
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CID 60733986
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CID 65185350
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1,3-diamino-1-(2-bromophenyl)propan-2-ol
CID 116942608
3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
CID 66478468
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol (CID 66478493) is 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol is CC1(C)C(C(O)C(CN)c2ccccc2Br)C1(C)C.
What is the InChIKey of 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
The InChIKey is QKEJCEVXNPIKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-15(2)14(16(15,3)4)13(19)11(9-18)10-7-5-6-8-12(10)17/h5-8,11,13-14,19H,9,18H2,1-4H3.
What are the key properties of 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol is sourced from PubChem (CID 66478493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).