N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine

C18H29NO2 — CID 104663479

IUPACN-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1ccccc1OCCOC
InChIInChI=1S/C18H29NO2/c1-3-11-19-14-15-7-6-9-16(15)17-8-4-5-10-18(17)21-13-12-20-2/h4-5,8,10,15-16,19H,3,6-7,9,11-14H2,1-2H3
InChIKeyBTPDRBFAHALWIQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.60
Rot. Bonds9

About N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine

N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 104663479) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
PubChem CID104663479
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1ccccc1OCCOC
InChIInChI=1S/C18H29NO2/c1-3-11-19-14-15-7-6-9-16(15)17-8-4-5-10-18(17)21-13-12-20-2/h4-5,8,10,15-16,19H,3,6-7,9,11-14H2,1-2H3
InChIKeyBTPDRBFAHALWIQ-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[2-(2-propoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 104663485
N-[(2-naphthalen-1-ylcyclopentyl)methyl]propan-1-amine
CID 81033533
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 82791683
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
CID 104662480
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81033055
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
CID 104663455
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine (CID 104663479) is N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1c1ccccc1OCCOC.
What is the InChIKey of N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is BTPDRBFAHALWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-11-19-14-15-7-6-9-16(15)17-8-4-5-10-18(17)21-13-12-20-2/h4-5,8,10,15-16,19H,3,6-7,9,11-14H2,1-2H3.
What are the key properties of N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine?
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 104663479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).