N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine

C18H26N2 — CID 61308803

IUPACN-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(NC2CC3CCC2C3)c(CN2CCCC2)c1
InChIInChI=1S/C18H26N2/c1-2-6-17(16(5-1)13-20-9-3-4-10-20)19-18-12-14-7-8-15(18)11-14/h1-2,5-6,14-15,18-19H,3-4,7-13H2
InChIKeyKYZWQXGUQIKFCY-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.88
Rot. Bonds4

About N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61308803) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61308803
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(NC2CC3CCC2C3)c(CN2CCCC2)c1
InChIInChI=1S/C18H26N2/c1-2-6-17(16(5-1)13-20-9-3-4-10-20)19-18-12-14-7-8-15(18)11-14/h1-2,5-6,14-15,18-19H,3-4,7-13H2
InChIKeyKYZWQXGUQIKFCY-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
1-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,3-diamine
CID 79458660
2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662123
N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 54329909
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol
CID 115972290
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 98112476
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089
4-benzyl-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carbothioamide
CID 11936690
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-bromophenyl)methyl]piperazine
CID 98125128

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine (CID 61308803) is N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine is c1ccc(NC2CC3CCC2C3)c(CN2CCCC2)c1.
What is the InChIKey of N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KYZWQXGUQIKFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-6-17(16(5-1)13-20-9-3-4-10-20)19-18-12-14-7-8-15(18)11-14/h1-2,5-6,14-15,18-19H,3-4,7-13H2.
What are the key properties of N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61308803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).