N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine

C18H29NO2 — CID 63056811

IUPACN-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)cc1OCC1CCCC1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-12-15-9-10-16(20-4)17(11-15)21-13-14-7-5-6-8-14/h9-11,14,19H,5-8,12-13H2,1-4H3
InChIKeyFJKJOADLESGDDD-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.15
Rot. Bonds6

About N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63056811) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63056811
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)cc1OCC1CCCC1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-12-15-9-10-16(20-4)17(11-15)21-13-14-7-5-6-8-14/h9-11,14,19H,5-8,12-13H2,1-4H3
InChIKeyFJKJOADLESGDDD-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 106929288
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 63056811) is N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1ccc(CNC(C)(C)C)cc1OCC1CCCC1.
What is the InChIKey of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FJKJOADLESGDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)19-12-15-9-10-16(20-4)17(11-15)21-13-14-7-5-6-8-14/h9-11,14,19H,5-8,12-13H2,1-4H3.
What are the key properties of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).