4-[2-(benzylamino)propyl]phenol;hydrobromide

C16H20BrNO — CID 54609236

IUPAC4-[2-(benzylamino)propyl]phenol;hydrobromide
SMILESBr.CC(Cc1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C16H19NO.BrH/c1-13(11-14-7-9-16(18)10-8-14)17-12-15-5-3-2-4-6-15;/h2-10,13,17-18H,11-12H2,1H3;1H
InChIKeyJAXOZCJLJMMNMN-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.69
Rot. Bonds5

About 4-[2-(benzylamino)propyl]phenol;hydrobromide

4-[2-(benzylamino)propyl]phenol;hydrobromide (PubChem CID 54609236) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-[2-(benzylamino)propyl]phenol;hydrobromide.

Molecular Properties

Compound Name4-[2-(benzylamino)propyl]phenol;hydrobromide
PubChem CID54609236
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name4-[2-(benzylamino)propyl]phenol;hydrobromide
SMILESBr.CC(Cc1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C16H19NO.BrH/c1-13(11-14-7-9-16(18)10-8-14)17-12-15-5-3-2-4-6-15;/h2-10,13,17-18H,11-12H2,1H3;1H
InChIKeyJAXOZCJLJMMNMN-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
2-chloro-4-[(1-phenylpropan-2-ylamino)methyl]phenol
CID 63010391
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol
CID 166194510
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)propyl]phenol;hydrobromide?
The IUPAC name of 4-[2-(benzylamino)propyl]phenol;hydrobromide (CID 54609236) is 4-[2-(benzylamino)propyl]phenol;hydrobromide.
What is the SMILES notation for 4-[2-(benzylamino)propyl]phenol;hydrobromide?
The canonical SMILES for 4-[2-(benzylamino)propyl]phenol;hydrobromide is Br.CC(Cc1ccc(O)cc1)NCc1ccccc1.
What is the InChIKey of 4-[2-(benzylamino)propyl]phenol;hydrobromide?
The InChIKey is JAXOZCJLJMMNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.BrH/c1-13(11-14-7-9-16(18)10-8-14)17-12-15-5-3-2-4-6-15;/h2-10,13,17-18H,11-12H2,1H3;1H.
What are the key properties of 4-[2-(benzylamino)propyl]phenol;hydrobromide?
4-[2-(benzylamino)propyl]phenol;hydrobromide has a molecular weight of 322.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)propyl]phenol;hydrobromide is sourced from PubChem (CID 54609236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).