N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine

C17H18ClNO — CID 62571019

IUPACN-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c1-2-10-19-11-12-20-17-9-8-15(13-16(17)18)14-6-4-3-5-7-14/h2-9,13,19H,1,10-12H2
InChIKeyBQDVZGHXKIVGDV-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.16
Rot. Bonds7

About N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine

N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine (PubChem CID 62571019) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine
PubChem CID62571019
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c1-2-10-19-11-12-20-17-9-8-15(13-16(17)18)14-6-4-3-5-7-14/h2-9,13,19H,1,10-12H2
InChIKeyBQDVZGHXKIVGDV-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571020
N-[2-(2-chloro-4-phenylphenoxy)ethyl]butan-1-amine
CID 63506720
2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
CID 63499479
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
5-(2-chloro-4-phenylphenoxy)pentan-2-one
CID 62029499
1-(3-azidopropoxy)-2-chloro-4-phenylbenzene
CID 63464160
N-[2-(2,4,6-trichlorophenoxy)ethyl]prop-2-en-1-amine
CID 21286525
3-(2-bromo-4-chlorophenoxy)-N-prop-2-enylpropan-1-amine;oxalic acid
CID 2924165
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
N-[2-(2-chloro-3,6-dimethylphenoxy)ethyl]prop-2-en-1-amine
CID 2994528
N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 69274969
N-[2-(2-chloro-3,6-dimethylphenoxy)ethyl]prop-2-en-1-amine;hydrochloride
CID 2994527

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine (CID 62571019) is N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine is C=CCNCCOc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine?
The InChIKey is BQDVZGHXKIVGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-2-10-19-11-12-20-17-9-8-15(13-16(17)18)14-6-4-3-5-7-14/h2-9,13,19H,1,10-12H2.
What are the key properties of N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine?
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine has a molecular weight of 287.79 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62571019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).