1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol

C13H21ClN2O2 — CID 168638697

IUPAC1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
SMILESCN(C)CCOc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C13H21ClN2O2/c1-16(2)7-8-18-13-5-3-11(4-6-13)15-10-12(17)9-14/h3-6,12,15,17H,7-10H2,1-2H3
InChIKeyBVPBKRJKQRBLDL-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.64
Rot. Bonds8

About 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol

1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol (PubChem CID 168638697) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
PubChem CID168638697
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
SMILESCN(C)CCOc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C13H21ClN2O2/c1-16(2)7-8-18-13-5-3-11(4-6-13)15-10-12(17)9-14/h3-6,12,15,17H,7-10H2,1-2H3
InChIKeyBVPBKRJKQRBLDL-UHFFFAOYSA-N
XLogP1.64
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol
CID 168638340
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
CID 60900056
4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
CID 82539509
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
2-[[4-[2-(dimethylamino)ethoxy]anilino]methylidene]propanedinitrile
CID 168543395
3-(4-nonoxyanilino)propane-1,2-diol
CID 168593717
4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
CID 64591781

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol (CID 168638697) is 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol is CN(C)CCOc1ccc(NCC(O)CCl)cc1.
What is the InChIKey of 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol?
The InChIKey is BVPBKRJKQRBLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-16(2)7-8-18-13-5-3-11(4-6-13)15-10-12(17)9-14/h3-6,12,15,17H,7-10H2,1-2H3.
What are the key properties of 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol?
1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol has a molecular weight of 272.78 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol is sourced from PubChem (CID 168638697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).