N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine

C16H22N2 — CID 114096308

IUPACN-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESNc1ccc(CCNC2C3C4CCC(C4)C23)cc1
InChIInChI=1S/C16H22N2/c17-13-5-1-10(2-6-13)7-8-18-16-14-11-3-4-12(9-11)15(14)16/h1-2,5-6,11-12,14-16,18H,3-4,7-9,17H2
InChIKeyXDKMOGLVLHRJME-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine

N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114096308) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114096308
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESNc1ccc(CCNC2C3C4CCC(C4)C23)cc1
InChIInChI=1S/C16H22N2/c17-13-5-1-10(2-6-13)7-8-18-16-14-11-3-4-12(9-11)15(14)16/h1-2,5-6,11-12,14-16,18H,3-4,7-9,17H2
InChIKeyXDKMOGLVLHRJME-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095982
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 81479001
N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
CID 81325244
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine
CID 783887
3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine
CID 114095351
4-[3-(dicyclopropylmethylamino)propyl]aniline
CID 113290643
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
4-[2-(methoxyamino)ethyl]aniline
CID 143701980

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine (CID 114096308) is N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine is Nc1ccc(CCNC2C3C4CCC(C4)C23)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is XDKMOGLVLHRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-13-5-1-10(2-6-13)7-8-18-16-14-11-3-4-12(9-11)15(14)16/h1-2,5-6,11-12,14-16,18H,3-4,7-9,17H2.
What are the key properties of N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine?
N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 242.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114096308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).