1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol

C15H23NO2 — CID 60901833

IUPAC1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
SMILESCc1cc(C)cc(NCC(O)COCC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-11-5-12(2)7-14(6-11)16-8-15(17)10-18-9-13-3-4-13/h5-7,13,15-17H,3-4,8-10H2,1-2H3
InChIKeyBBLQDVQLTGXGFI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.50
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol

1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol (PubChem CID 60901833) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
PubChem CID60901833
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
SMILESCc1cc(C)cc(NCC(O)COCC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-11-5-12(2)7-14(6-11)16-8-15(17)10-18-9-13-3-4-13/h5-7,13,15-17H,3-4,8-10H2,1-2H3
InChIKeyBBLQDVQLTGXGFI-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
CID 110911157
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-4-methylbenzonitrile
CID 62103379

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol (CID 60901833) is 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol is Cc1cc(C)cc(NCC(O)COCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
The InChIKey is BBLQDVQLTGXGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-5-12(2)7-14(6-11)16-8-15(17)10-18-9-13-3-4-13/h5-7,13,15-17H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol is sourced from PubChem (CID 60901833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).