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

C14H20ClNO2 — CID 60904125

IUPAC1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COCC1CC1
InChIInChI=1S/C14H20ClNO2/c1-10-2-5-12(15)6-14(10)16-7-13(17)9-18-8-11-3-4-11/h2,5-6,11,13,16-17H,3-4,7-9H2,1H3
InChIKeySUXCKRBGNJRSFO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.85
Rot. Bonds7

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

1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 60904125) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID60904125
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESCc1ccc(Cl)cc1NCC(O)COCC1CC1
InChIInChI=1S/C14H20ClNO2/c1-10-2-5-12(15)6-14(10)16-7-13(17)9-18-8-11-3-4-11/h2,5-6,11,13,16-17H,3-4,7-9H2,1H3
InChIKeySUXCKRBGNJRSFO-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
3-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]-4-methylbenzonitrile
CID 62103379
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(5-bromo-2,4-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 102853501
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol (CID 60904125) is 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol is Cc1ccc(Cl)cc1NCC(O)COCC1CC1.
What is the InChIKey of 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is SUXCKRBGNJRSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-2-5-12(15)6-14(10)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-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol?
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 60904125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).