1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol

C13H18BrNO2 — CID 60898174

IUPAC1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1cccc(Br)c1)COCC1CC1
InChIInChI=1S/C13H18BrNO2/c14-11-2-1-3-12(6-11)15-7-13(16)9-17-8-10-4-5-10/h1-3,6,10,13,15-16H,4-5,7-9H2
InChIKeyMYAVWNUSWSCZTK-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.65
Rot. Bonds7

About 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol

1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 60898174) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID60898174
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1cccc(Br)c1)COCC1CC1
InChIInChI=1S/C13H18BrNO2/c14-11-2-1-3-12(6-11)15-7-13(16)9-17-8-10-4-5-10/h1-3,6,10,13,15-16H,4-5,7-9H2
InChIKeyMYAVWNUSWSCZTK-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
3-bromo-4-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]benzonitrile
CID 103865872

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol (CID 60898174) is 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol is OC(CNc1cccc(Br)c1)COCC1CC1.
What is the InChIKey of 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is MYAVWNUSWSCZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-2-1-3-12(6-11)15-7-13(16)9-17-8-10-4-5-10/h1-3,6,10,13,15-16H,4-5,7-9H2.
What are the key properties of 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol?
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 300.20 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 60898174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).