N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine

C18H29NO — CID 115464481

IUPACN-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ccccc1COC1CCCC1
InChIInChI=1S/C18H29NO/c1-18(2,3)19-13-12-15-8-4-5-9-16(15)14-20-17-10-6-7-11-17/h4-5,8-9,17,19H,6-7,10-14H2,1-3H3
InChIKeyXYGBLAKFBUJCBU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.08
Rot. Bonds6

About N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine

N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 115464481) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID115464481
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1ccccc1COC1CCCC1
InChIInChI=1S/C18H29NO/c1-18(2,3)19-13-12-15-8-4-5-9-16(15)14-20-17-10-6-7-11-17/h4-5,8-9,17,19H,6-7,10-14H2,1-3H3
InChIKeyXYGBLAKFBUJCBU-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464530
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
CID 115465037
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[2-[2-[[(E)-but-2-enoxy]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464424
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464581
2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 116793677
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
CID 126674892

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine (CID 115464481) is N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1ccccc1COC1CCCC1.
What is the InChIKey of N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is XYGBLAKFBUJCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)19-13-12-15-8-4-5-9-16(15)14-20-17-10-6-7-11-17/h4-5,8-9,17,19H,6-7,10-14H2,1-3H3.
What are the key properties of N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115464481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).