1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine

C17H25N — CID 79558859

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(N)CC1CC2CCC1C2
InChIInChI=1S/C17H25N/c1-12-5-3-4-6-16(12)17(2,18)11-15-10-13-7-8-14(15)9-13/h3-6,13-15H,7-11,18H2,1-2H3
InChIKeyZRHHDBBOEKNVMG-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine (PubChem CID 79558859) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine
PubChem CID79558859
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(N)CC1CC2CCC1C2
InChIInChI=1S/C17H25N/c1-12-5-3-4-6-16(12)17(2,18)11-15-10-13-7-8-14(15)9-13/h3-6,13-15H,7-11,18H2,1-2H3
InChIKeyZRHHDBBOEKNVMG-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propan-2-ol
CID 79559635
1-cyclopentyl-2-(2-methylphenyl)propan-2-amine
CID 62620877
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
CID 79554012
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine
CID 79557833
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
CID 79551827
2-(1-benzothiophen-2-yl)-1-(2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 114910962
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethylphenyl)ethyl]hydrazine
CID 114027392
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
CID 114252026
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol
CID 106508625

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine (CID 79558859) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(C)(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine?
The InChIKey is ZRHHDBBOEKNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-5-3-4-6-16(12)17(2,18)11-15-10-13-7-8-14(15)9-13/h3-6,13-15H,7-11,18H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 4.00, 3 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)-2-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 79558859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).