N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine

C15H21NO — CID 130536829

IUPACN-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine
SMILESC1=CCC(NCCOCc2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h1-5,7-8,15-16H,6,9-13H2
InChIKeyCGOAIOCBKYUUPT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds6

About N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine

N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine (PubChem CID 130536829) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine
PubChem CID130536829
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine
SMILESC1=CCC(NCCOCc2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h1-5,7-8,15-16H,6,9-13H2
InChIKeyCGOAIOCBKYUUPT-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171349576
2-cyclopent-2-en-1-ylethoxymethylbenzene
CID 86221506
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine
CID 103409551
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
CID 144529149
1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 115699248
N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62444055

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine?
The IUPAC name of N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine (CID 130536829) is N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine is C1=CCC(NCCOCc2ccccc2)CC1.
What is the InChIKey of N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine?
The InChIKey is CGOAIOCBKYUUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h1-5,7-8,15-16H,6,9-13H2.
What are the key properties of N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine?
N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 130536829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).