1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol

C14H20ClNO3 — CID 60898114

IUPAC1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESCOc1ccc(Cl)cc1NCC(O)COCC1CC1
InChIInChI=1S/C14H20ClNO3/c1-18-14-5-4-11(15)6-13(14)16-7-12(17)9-19-8-10-2-3-10/h4-6,10,12,16-17H,2-3,7-9H2,1H3
InChIKeyVHFUBSCZVHWTLN-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.55
Rot. Bonds8

About 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol

1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 60898114) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID60898114
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESCOc1ccc(Cl)cc1NCC(O)COCC1CC1
InChIInChI=1S/C14H20ClNO3/c1-18-14-5-4-11(15)6-13(14)16-7-12(17)9-19-8-10-2-3-10/h4-6,10,12,16-17H,2-3,7-9H2,1H3
InChIKeyVHFUBSCZVHWTLN-UHFFFAOYSA-N
XLogP2.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
1-(5-bromo-2,4-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 102853501
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-4-methylbenzonitrile
CID 62103379
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 52538522

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol (CID 60898114) is 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol is COc1ccc(Cl)cc1NCC(O)COCC1CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is VHFUBSCZVHWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-14-5-4-11(15)6-13(14)16-7-12(17)9-19-8-10-2-3-10/h4-6,10,12,16-17H,2-3,7-9H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol?
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 285.77 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 60898114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).