N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine

C19H30N2 — CID 61308773

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCN(CC)Cc1ccccc1CNC1CC2CCC1C2
InChIInChI=1S/C19H30N2/c1-3-21(4-2)14-18-8-6-5-7-17(18)13-20-19-12-15-9-10-16(19)11-15/h5-8,15-16,19-20H,3-4,9-14H2,1-2H3
InChIKeyJHZKGZNCWKSCBQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.81
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine

N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61308773) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61308773
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCN(CC)Cc1ccccc1CNC1CC2CCC1C2
InChIInChI=1S/C19H30N2/c1-3-21(4-2)14-18-8-6-5-7-17(18)13-20-19-12-15-9-10-16(19)11-15/h5-8,15-16,19-20H,3-4,9-14H2,1-2H3
InChIKeyJHZKGZNCWKSCBQ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
CID 104870820
(1R,2R,4R)-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 98109752
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 98119416
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N'-benzyl-N-(2-bicyclo[2.2.1]heptanyl)-N'-methylpropane-1,3-diamine
CID 61308766
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115697528

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine (CID 61308773) is N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine is CCN(CC)Cc1ccccc1CNC1CC2CCC1C2.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is JHZKGZNCWKSCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-21(4-2)14-18-8-6-5-7-17(18)13-20-19-12-15-9-10-16(19)11-15/h5-8,15-16,19-20H,3-4,9-14H2,1-2H3.
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine?
N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 286.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61308773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).