1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol

C14H20BrNO2 — CID 55200974

IUPAC1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESCc1ccc(NCC(O)COCC2CC2)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-10-2-5-12(6-14(10)15)16-7-13(17)9-18-8-11-3-4-11/h2,5-6,11,13,16-17H,3-4,7-9H2,1H3
InChIKeyHZSJBRRCNYVFEK-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.96
Rot. Bonds7

About 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol

1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 55200974) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID55200974
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESCc1ccc(NCC(O)COCC2CC2)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-10-2-5-12(6-14(10)15)16-7-13(17)9-18-8-11-3-4-11/h2,5-6,11,13,16-17H,3-4,7-9H2,1H3
InChIKeyHZSJBRRCNYVFEK-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63334174
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-(3-bromo-4-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 63333784
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-4-methylbenzonitrile
CID 62103379
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
3-bromo-4-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]benzonitrile
CID 103865872

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol (CID 55200974) is 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol is Cc1ccc(NCC(O)COCC2CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is HZSJBRRCNYVFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10-2-5-12(6-14(10)15)16-7-13(17)9-18-8-11-3-4-11/h2,5-6,11,13,16-17H,3-4,7-9H2,1H3.
What are the key properties of 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 314.22 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 55200974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).