2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol

C14H23ClN2O2 — CID 83933377

IUPAC2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
SMILESCCCOc1ccc(Cl)cc1C(O)C(N)CCNC
InChIInChI=1S/C14H23ClN2O2/c1-3-8-19-13-5-4-10(15)9-11(13)14(18)12(16)6-7-17-2/h4-5,9,12,14,17-18H,3,6-8,16H2,1-2H3
InChIKeyUJSQEGSVQLFIPS-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.10
Rot. Bonds8

About 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol

2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol (PubChem CID 83933377) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
PubChem CID83933377
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
SMILESCCCOc1ccc(Cl)cc1C(O)C(N)CCNC
InChIInChI=1S/C14H23ClN2O2/c1-3-8-19-13-5-4-10(15)9-11(13)14(18)12(16)6-7-17-2/h4-5,9,12,14,17-18H,3,6-8,16H2,1-2H3
InChIKeyUJSQEGSVQLFIPS-UHFFFAOYSA-N
XLogP2.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
CID 83921180
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol?
The IUPAC name of 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol (CID 83933377) is 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol is CCCOc1ccc(Cl)cc1C(O)C(N)CCNC.
What is the InChIKey of 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol?
The InChIKey is UJSQEGSVQLFIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-3-8-19-13-5-4-10(15)9-11(13)14(18)12(16)6-7-17-2/h4-5,9,12,14,17-18H,3,6-8,16H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol?
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol has a molecular weight of 286.80 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol is sourced from PubChem (CID 83933377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).