N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine

C17H27NO2 — CID 43278205

IUPACN-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OC1CCCC1
InChIInChI=1S/C17H27NO2/c1-4-19-17-11-14(12-18-13(2)3)9-10-16(17)20-15-7-5-6-8-15/h9-11,13,15,18H,4-8,12H2,1-3H3
InChIKeyCOANQMNUNLZKOU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.90
Rot. Bonds7

About N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine

N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine (PubChem CID 43278205) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
PubChem CID43278205
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)C)ccc1OC1CCCC1
InChIInChI=1S/C17H27NO2/c1-4-19-17-11-14(12-18-13(2)3)9-10-16(17)20-15-7-5-6-8-15/h9-11,13,15,18H,4-8,12H2,1-3H3
InChIKeyCOANQMNUNLZKOU-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
N-[(3-cyclopentyloxy-4-nitrophenyl)methyl]propan-2-amine
CID 62116751
N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43278195
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81107013
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 170879775
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 63559336

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine (CID 43278205) is N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine is CCOc1cc(CNC(C)C)ccc1OC1CCCC1.
What is the InChIKey of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine?
The InChIKey is COANQMNUNLZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-17-11-14(12-18-13(2)3)9-10-16(17)20-15-7-5-6-8-15/h9-11,13,15,18H,4-8,12H2,1-3H3.
What are the key properties of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine?
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43278205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).