N-[2-(4-butylphenoxy)ethyl]cycloheptanamine

C19H31NO — CID 115493422

IUPACN-[2-(4-butylphenoxy)ethyl]cycloheptanamine
SMILESCCCCc1ccc(OCCNC2CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-2-3-8-17-11-13-19(14-12-17)21-16-15-20-18-9-6-4-5-7-10-18/h11-14,18,20H,2-10,15-16H2,1H3
InChIKeyXOLLEVHBZHAALF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.72
Rot. Bonds8

About N-[2-(4-butylphenoxy)ethyl]cycloheptanamine

N-[2-(4-butylphenoxy)ethyl]cycloheptanamine (PubChem CID 115493422) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(4-butylphenoxy)ethyl]cycloheptanamine
PubChem CID115493422
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(4-butylphenoxy)ethyl]cycloheptanamine
SMILESCCCCc1ccc(OCCNC2CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-2-3-8-17-11-13-19(14-12-17)21-16-15-20-18-9-6-4-5-7-10-18/h11-14,18,20H,2-10,15-16H2,1H3
InChIKeyXOLLEVHBZHAALF-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.72
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

N-[(4-butylphenyl)methyl]cyclohexanamine
CID 70837938
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(4-butylphenoxy)ethyl]cycloheptanamine (CID 115493422) is N-[2-(4-butylphenoxy)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(4-butylphenoxy)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(4-butylphenoxy)ethyl]cycloheptanamine is CCCCc1ccc(OCCNC2CCCCCC2)cc1.
What is the InChIKey of N-[2-(4-butylphenoxy)ethyl]cycloheptanamine?
The InChIKey is XOLLEVHBZHAALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-8-17-11-13-19(14-12-17)21-16-15-20-18-9-6-4-5-7-10-18/h11-14,18,20H,2-10,15-16H2,1H3.
What are the key properties of N-[2-(4-butylphenoxy)ethyl]cycloheptanamine?
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine has a molecular weight of 289.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenoxy)ethyl]cycloheptanamine is sourced from PubChem (CID 115493422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).