1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine

C16H18ClNO — CID 54929324

IUPAC1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine
SMILESC=C(Cl)COc1ccc2ccccc2c1CC(C)N
InChIInChI=1S/C16H18ClNO/c1-11(17)10-19-16-8-7-13-5-3-4-6-14(13)15(16)9-12(2)18/h3-8,12H,1,9-10,18H2,2H3
InChIKeyJIRYNNYIDXVNFU-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.86
Rot. Bonds5

About 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine

1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine (PubChem CID 54929324) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine
PubChem CID54929324
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine
SMILESC=C(Cl)COc1ccc2ccccc2c1CC(C)N
InChIInChI=1S/C16H18ClNO/c1-11(17)10-19-16-8-7-13-5-3-4-6-14(13)15(16)9-12(2)18/h3-8,12H,1,9-10,18H2,2H3
InChIKeyJIRYNNYIDXVNFU-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63366958
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
2-[2-(2-bromoprop-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930321
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529
1-(2,3-dimethoxynaphthalen-1-yl)propan-2-amine
CID 170891238
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
1,2-bis(2-methylprop-2-enoxy)naphthalene
CID 139631746
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
CID 54929503
(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63367642

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine (CID 54929324) is 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine is C=C(Cl)COc1ccc2ccccc2c1CC(C)N.
What is the InChIKey of 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine?
The InChIKey is JIRYNNYIDXVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(17)10-19-16-8-7-13-5-3-4-6-14(13)15(16)9-12(2)18/h3-8,12H,1,9-10,18H2,2H3.
What are the key properties of 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine?
1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine is sourced from PubChem (CID 54929324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).