4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol

C16H19ClN2O — CID 62682556

IUPAC4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol
SMILESCN(CCN)C(c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(11-10-18)16(12-2-6-14(17)7-3-12)13-4-8-15(20)9-5-13/h2-9,16,20H,10-11,18H2,1H3
InChIKeyBCBPZVCKKBGPOW-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.03
Rot. Bonds5

About 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol

4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol (PubChem CID 62682556) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol
PubChem CID62682556
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol
SMILESCN(CCN)C(c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(11-10-18)16(12-2-6-14(17)7-3-12)13-4-8-15(20)9-5-13/h2-9,16,20H,10-11,18H2,1H3
InChIKeyBCBPZVCKKBGPOW-UHFFFAOYSA-N
XLogP3.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol
CID 83005626
4-chlorophenol
CID 4684
4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol
CID 82214480
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
CID 62980072
bis(4-chlorophenol);chromium
CID 152534645
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylethanamine
CID 166188270
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
4-chlorophenol;methoxymethane
CID 23617160
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
magnesium;4-chlorophenol;hydride
CID 174509814

Frequently Asked Questions

What is the IUPAC name of 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol?
The IUPAC name of 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol (CID 62682556) is 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol.
What is the SMILES notation for 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol?
The canonical SMILES for 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol is CN(CCN)C(c1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol?
The InChIKey is BCBPZVCKKBGPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(11-10-18)16(12-2-6-14(17)7-3-12)13-4-8-15(20)9-5-13/h2-9,16,20H,10-11,18H2,1H3.
What are the key properties of 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol?
4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol has a molecular weight of 290.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol is sourced from PubChem (CID 62682556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).