N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine

C19H27NO — CID 72609978

IUPACN-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1cccc(CN(C)C2CC3CC2C2CCCC32)c1
InChIInChI=1S/C19H27NO/c1-20(12-13-5-3-6-15(9-13)21-2)19-11-14-10-18(19)17-8-4-7-16(14)17/h3,5-6,9,14,16-19H,4,7-8,10-12H2,1-2H3
InChIKeyHKOJMYJYUZXDCB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.95
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine

N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 72609978) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine
PubChem CID72609978
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1cccc(CN(C)C2CC3CC2C2CCCC32)c1
InChIInChI=1S/C19H27NO/c1-20(12-13-5-3-6-15(9-13)21-2)19-11-14-10-18(19)17-8-4-7-16(14)17/h3,5-6,9,14,16-19H,4,7-8,10-12H2,1-2H3
InChIKeyHKOJMYJYUZXDCB-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708961
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
8-[(3-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 65147340
(3aR,7aS)-4-[(3-methoxyphenyl)methyl-methylamino]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155839772
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
[4-[(3-methoxyphenyl)methyl-methylamino]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1H-pyrazol-5-yl)methanone
CID 131690076

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine (CID 72609978) is N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine is COc1cccc(CN(C)C2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is HKOJMYJYUZXDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-20(12-13-5-3-6-15(9-13)21-2)19-11-14-10-18(19)17-8-4-7-16(14)17/h3,5-6,9,14,16-19H,4,7-8,10-12H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine?
N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 285.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 72609978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).