N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine

C29H35NO4 — CID 171349576

IUPACN-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
SMILESc1ccc(COc2ccc(COc3ccc(OCCOCCNC4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C29H35NO4/c1-2-6-24(7-3-1)22-33-28-12-10-25(11-13-28)23-34-29-16-14-27(15-17-29)32-21-20-31-19-18-30-26-8-4-5-9-26/h1-3,6-7,10-17,26,30H,4-5,8-9,18-23H2
InChIKeyCLHLRQXPHPEGJB-UHFFFAOYSA-N
MW461.60 g/mol
LogP5.77
Rot. Bonds14

About N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine

N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine (PubChem CID 171349576) has the molecular formula C29H35NO4 and a molecular weight of 461.60 g/mol. Its IUPAC name is N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
PubChem CID171349576
Molecular FormulaC29H35NO4
Molecular Weight461.60 g/mol
Exact Mass461.26
IUPAC NameN-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
SMILESc1ccc(COc2ccc(COc3ccc(OCCOCCNC4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C29H35NO4/c1-2-6-24(7-3-1)22-33-28-12-10-25(11-13-28)23-34-29-16-14-27(15-17-29)32-21-20-31-19-18-30-26-8-4-5-9-26/h1-3,6-7,10-17,26,30H,4-5,8-9,18-23H2
InChIKeyCLHLRQXPHPEGJB-UHFFFAOYSA-N
XLogP5.77
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[4-[(3-nitrophenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171350531
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2966257
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine (CID 171349576) is N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine is c1ccc(COc2ccc(COc3ccc(OCCOCCNC4CCCC4)cc3)cc2)cc1.
What is the InChIKey of N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine?
The InChIKey is CLHLRQXPHPEGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO4/c1-2-6-24(7-3-1)22-33-28-12-10-25(11-13-28)23-34-29-16-14-27(15-17-29)32-21-20-31-19-18-30-26-8-4-5-9-26/h1-3,6-7,10-17,26,30H,4-5,8-9,18-23H2.
What are the key properties of N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine?
N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine has a molecular weight of 461.60 g/mol, XLogP of 5.77, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine is sourced from PubChem (CID 171349576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).