1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol

C13H20BrNO2 — CID 82828085

IUPAC1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-2-7-15-8-13(16)10-17-9-11-3-5-12(14)6-4-11/h3-6,13,15-16H,2,7-10H2,1H3
InChIKeyBIXVRJGKFZJWLM-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.33
Rot. Bonds8

About 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol

1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol (PubChem CID 82828085) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
PubChem CID82828085
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-2-7-15-8-13(16)10-17-9-11-3-5-12(14)6-4-11/h3-6,13,15-16H,2,7-10H2,1H3
InChIKeyBIXVRJGKFZJWLM-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-(propylamino)-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 43166275
N-[2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909199
1-(4-bromophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938591
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol (CID 82828085) is 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol is CCCNCC(O)COCc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol?
The InChIKey is BIXVRJGKFZJWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-2-7-15-8-13(16)10-17-9-11-3-5-12(14)6-4-11/h3-6,13,15-16H,2,7-10H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol?
1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 82828085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).