2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol

C11H16BrNO — CID 4715466

IUPAC2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-11(2,8-14)13-7-9-4-3-5-10(12)6-9/h3-6,13-14H,7-8H2,1-2H3
InChIKeyMJTSAJDYZYZNFS-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.31
Rot. Bonds4

About 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol

2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 4715466) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
PubChem CID4715466
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-11(2,8-14)13-7-9-4-3-5-10(12)6-9/h3-6,13-14H,7-8H2,1-2H3
InChIKeyMJTSAJDYZYZNFS-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3-bromophenyl)methylamino]-3-hydroxy-2-methylpropanoic acid
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(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
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2-(3-bromoanilino)-2-methylpropan-1-ol
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2-[(3-bromophenyl)methylamino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
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2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
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N-[[3-[(3-bromophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
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CID 4715475

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol (CID 4715466) is 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is MJTSAJDYZYZNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,8-14)13-7-9-4-3-5-10(12)6-9/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol?
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 4715466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).