N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine

C17H27NO — CID 107190280

IUPACN-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)C1CCCC1C
InChIInChI=1S/C17H27NO/c1-12(2)19-15-9-6-8-14(11-15)17(18-4)16-10-5-7-13(16)3/h6,8-9,11-13,16-18H,5,7,10H2,1-4H3
InChIKeyWEKAEGWSSIVSHD-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds5

About N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine

N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 107190280) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
PubChem CID107190280
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cccc(OC(C)C)c1)C1CCCC1C
InChIInChI=1S/C17H27NO/c1-12(2)19-15-9-6-8-14(11-15)17(18-4)16-10-5-7-13(16)3/h6,8-9,11-13,16-18H,5,7,10H2,1-4H3
InChIKeyWEKAEGWSSIVSHD-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188682
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine
CID 80622143
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
2-[(3-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 21317833
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018978
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-methyl-1-(2-methylcyclopentyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177156
[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326497
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 105051662
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine (CID 107190280) is N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine is CNC(c1cccc(OC(C)C)c1)C1CCCC1C.
What is the InChIKey of N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is WEKAEGWSSIVSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)19-15-9-6-8-14(11-15)17(18-4)16-10-5-7-13(16)3/h6,8-9,11-13,16-18H,5,7,10H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine?
N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 107190280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).