(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol

C12H18BrNO — CID 97051682

IUPAC(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
SMILESC[C@H](CCCO)NCc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-10(5-4-8-15)14-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyYAEZODVAMLHGIH-SNVBAGLBSA-N
MW272.19 g/mol
LogP2.70
Rot. Bonds6

About (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol

(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol (PubChem CID 97051682) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
PubChem CID97051682
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
SMILESC[C@H](CCCO)NCc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-10(5-4-8-15)14-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyYAEZODVAMLHGIH-SNVBAGLBSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
4-(benzylamino)pentan-1-ol
CID 75356500
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
CID 103854651
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345179
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 102836538

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol?
The IUPAC name of (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol (CID 97051682) is (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol?
The canonical SMILES for (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol is C[C@H](CCCO)NCc1ccccc1Br.
What is the InChIKey of (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol?
The InChIKey is YAEZODVAMLHGIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-10(5-4-8-15)14-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol?
(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 97051682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).