1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine

C16H21Cl2N — CID 63527803

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)CC1CC2CCC1C2
InChIInChI=1S/C16H21Cl2N/c17-15-4-2-11(8-16(15)18)7-14(19)9-13-6-10-1-3-12(13)5-10/h2,4,8,10,12-14H,1,3,5-7,9,19H2
InChIKeyUMTKRNWYNJPQNL-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.69
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine (PubChem CID 63527803) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
PubChem CID63527803
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)CC1CC2CCC1C2
InChIInChI=1S/C16H21Cl2N/c17-15-4-2-11(8-16(15)18)7-14(19)9-13-6-10-1-3-12(13)5-10/h2,4,8,10,12-14H,1,3,5-7,9,19H2
InChIKeyUMTKRNWYNJPQNL-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
CID 55223192
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105015334
1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
CID 79562862
2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
CID 63519319
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
CID 55224817
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 104999302
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
CID 105020691
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine
CID 105167993
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine (CID 63527803) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine is NC(Cc1ccc(Cl)c(Cl)c1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine?
The InChIKey is UMTKRNWYNJPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c17-15-4-2-11(8-16(15)18)7-14(19)9-13-6-10-1-3-12(13)5-10/h2,4,8,10,12-14H,1,3,5-7,9,19H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine has a molecular weight of 298.26 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 63527803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).