N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C18H27NO — CID 115897380

IUPACN-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC1CCC(C)(C)C1)CC2
InChIInChI=1S/C18H27NO/c1-18(2)9-8-16(12-18)19-15-6-4-13-5-7-17(20-3)11-14(13)10-15/h5,7,11,15-16,19H,4,6,8-10,12H2,1-3H3
InChIKeyXZEWNLHEDJYUQI-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115897380) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115897380
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC1CCC(C)(C)C1)CC2
InChIInChI=1S/C18H27NO/c1-18(2)9-8-16(12-18)19-15-6-4-13-5-7-17(20-3)11-14(13)10-15/h5,7,11,15-16,19H,4,6,8-10,12H2,1-3H3
InChIKeyXZEWNLHEDJYUQI-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dioxothian-3-amine
CID 115510532
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
CID 115510364
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
7-methoxy-N-(2-methoxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82712669
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115897380) is N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NC1CCC(C)(C)C1)CC2.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XZEWNLHEDJYUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)9-8-16(12-18)19-15-6-4-13-5-7-17(20-3)11-14(13)10-15/h5,7,11,15-16,19H,4,6,8-10,12H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115897380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).