N-[2-(cyclopentylmethoxy)ethyl]aniline

C14H21NO — CID 66323368

IUPACN-[2-(cyclopentylmethoxy)ethyl]aniline
SMILESc1ccc(NCCOCC2CCCC2)cc1
InChIInChI=1S/C14H21NO/c1-2-8-14(9-3-1)15-10-11-16-12-13-6-4-5-7-13/h1-3,8-9,13,15H,4-7,10-12H2
InChIKeyDAVZNBXPRDEGQB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(cyclopentylmethoxy)ethyl]aniline

N-[2-(cyclopentylmethoxy)ethyl]aniline (PubChem CID 66323368) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(cyclopentylmethoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(cyclopentylmethoxy)ethyl]aniline
PubChem CID66323368
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(cyclopentylmethoxy)ethyl]aniline
SMILESc1ccc(NCCOCC2CCCC2)cc1
InChIInChI=1S/C14H21NO/c1-2-8-14(9-3-1)15-10-11-16-12-13-6-4-5-7-13/h1-3,8-9,13,15H,4-7,10-12H2
InChIKeyDAVZNBXPRDEGQB-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-(4-{[(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-phenyl)-amine hydrochloride
CID 2960152
N-(2-methoxyethyl)aniline
CID 1581105
Tetrahydro-N-phenyl-3-furanamine
CID 14977997
N-phenyloxetan-3-amine
CID 63624742
N-(2-Ethoxyethyl)aniline
CID 3015953
N-(2-methoxycyclohexyl)aniline
CID 2851809
Benzenamine, N-(2-methoxyethyl)-2-methyl-
CID 1898105
N-(Cyclopentylmethyl)aniline
CID 15568533
4-(aminomethyl)-N-(2-methoxyethyl)aniline
CID 47002421
N-(3-fluoro-2-methylphenyl)-2-methyloxolan-3-amine
CID 75525398
4-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 43194688
N-(oxolan-3-ylmethyl)aniline
CID 43190029

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethoxy)ethyl]aniline?
The IUPAC name of N-[2-(cyclopentylmethoxy)ethyl]aniline (CID 66323368) is N-[2-(cyclopentylmethoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(cyclopentylmethoxy)ethyl]aniline?
The canonical SMILES for N-[2-(cyclopentylmethoxy)ethyl]aniline is c1ccc(NCCOCC2CCCC2)cc1.
What is the InChIKey of N-[2-(cyclopentylmethoxy)ethyl]aniline?
The InChIKey is DAVZNBXPRDEGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-8-14(9-3-1)15-10-11-16-12-13-6-4-5-7-13/h1-3,8-9,13,15H,4-7,10-12H2.
What are the key properties of N-[2-(cyclopentylmethoxy)ethyl]aniline?
N-[2-(cyclopentylmethoxy)ethyl]aniline has a molecular weight of 219.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethoxy)ethyl]aniline is sourced from PubChem (CID 66323368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).