2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol

C12H18ClNO — CID 139796314

IUPAC2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CCCl)c1ccc(CCO)cc1
InChIInChI=1S/C12H18ClNO/c1-2-14(9-8-13)12-5-3-11(4-6-12)7-10-15/h3-6,15H,2,7-10H2,1H3
InChIKeyMQHQAKZYEVYIDI-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol

2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol (PubChem CID 139796314) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol
PubChem CID139796314
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CCCl)c1ccc(CCO)cc1
InChIInChI=1S/C12H18ClNO/c1-2-14(9-8-13)12-5-3-11(4-6-12)7-10-15/h3-6,15H,2,7-10H2,1H3
InChIKeyMQHQAKZYEVYIDI-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246
5-[4-[bis(2-chloroethyl)amino]phenyl]pentan-2-one;ethane
CID 144702988
3-[4-[2-chloroethyl(ethyl)amino]phenyl]prop-2-enoic acid
CID 70186302
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
1-[4-[bis(2-chloroethyl)amino]phenyl]propan-2-one
CID 54160856
4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid;hydrobromide
CID 68943656
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-(6-aminohexyl)-N,N-bis(2-chloroethyl)aniline
CID 14650304
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol (CID 139796314) is 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol is CCN(CCCl)c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol?
The InChIKey is MQHQAKZYEVYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-2-14(9-8-13)12-5-3-11(4-6-12)7-10-15/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol?
2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol has a molecular weight of 227.73 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloroethyl(ethyl)amino]phenyl]ethanol is sourced from PubChem (CID 139796314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).