2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine

C17H25N — CID 116545069

IUPAC2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)C2CC3CCC2C3)c1
InChIInChI=1S/C17H25N/c1-2-4-12-5-3-6-15(9-12)17(18)16-11-13-7-8-14(16)10-13/h3,5-6,9,13-14,16-17H,2,4,7-8,10-11,18H2,1H3
InChIKeyRCLDRGAFNHBVOS-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.08
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine

2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine (PubChem CID 116545069) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
PubChem CID116545069
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)C2CC3CCC2C3)c1
InChIInChI=1S/C17H25N/c1-2-4-12-5-3-6-15(9-12)17(18)16-11-13-7-8-14(16)10-13/h3,5-6,9,13-14,16-17H,2,4,7-8,10-11,18H2,1H3
InChIKeyRCLDRGAFNHBVOS-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314
1-(3-propylphenyl)ethanamine
CID 116543909
(3-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105187981
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
6-[amino(2-bicyclo[2.2.1]heptanyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300045
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
cyclohex-3-en-1-yl-(3-propylphenyl)methanol
CID 116542536

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine (CID 116545069) is 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine is CCCc1cccc(C(N)C2CC3CCC2C3)c1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine?
The InChIKey is RCLDRGAFNHBVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-4-12-5-3-6-15(9-12)17(18)16-11-13-7-8-14(16)10-13/h3,5-6,9,13-14,16-17H,2,4,7-8,10-11,18H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine?
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine has a molecular weight of 243.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine is sourced from PubChem (CID 116545069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).