N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine

C14H20ClNO — CID 60882886

IUPACN-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
SMILESC=C(Cl)COc1ccccc1C(C)NCCC
InChIInChI=1S/C14H20ClNO/c1-4-9-16-12(3)13-7-5-6-8-14(13)17-10-11(2)15/h5-8,12,16H,2,4,9-10H2,1,3H3
InChIKeyAWGSMAVNJKKURB-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.88
Rot. Bonds7

About N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine

N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine (PubChem CID 60882886) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
PubChem CID60882886
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
SMILESC=C(Cl)COc1ccccc1C(C)NCCC
InChIInChI=1S/C14H20ClNO/c1-4-9-16-12(3)13-7-5-6-8-14(13)17-10-11(2)15/h5-8,12,16H,2,4,9-10H2,1,3H3
InChIKeyAWGSMAVNJKKURB-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
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N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
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N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63020465

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine (CID 60882886) is N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine is C=C(Cl)COc1ccccc1C(C)NCCC.
What is the InChIKey of N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is AWGSMAVNJKKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-9-16-12(3)13-7-5-6-8-14(13)17-10-11(2)15/h5-8,12,16H,2,4,9-10H2,1,3H3.
What are the key properties of N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine?
N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 60882886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).