N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine

C17H20ClNO — CID 89197006

IUPACN-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCCN(Cl)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20ClNO/c1-2-19(18)13-12-15-8-10-17(11-9-15)20-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyLRXZDVVSKDEBHP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.28
Rot. Bonds7

About N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine

N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 89197006) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
PubChem CID89197006
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCCN(Cl)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20ClNO/c1-2-19(18)13-12-15-8-10-17(11-9-15)20-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyLRXZDVVSKDEBHP-UHFFFAOYSA-N
XLogP4.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-[2-(4-phenylmethoxyphenyl)ethyl-propylamino]benzene-1,2-diol
CID 174282394
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
1-phenylmethoxy-4-propoxybenzene
CID 10728874
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
N-(4-phenylmethoxyphenoxy)ethanamine
CID 88801073
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine (CID 89197006) is N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine is CCN(Cl)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is LRXZDVVSKDEBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-19(18)13-12-15-8-10-17(11-9-15)20-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3.
What are the key properties of N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 89197006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).