N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine

C18H29NO — CID 105348999

IUPACN-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-2-13-19-14-12-16-8-10-17(11-9-16)15-20-18-6-4-3-5-7-18/h8-11,18-19H,2-7,12-15H2,1H3
InChIKeyXDPWDRZDFFLQJS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.08
Rot. Bonds8

About N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine

N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 105348999) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID105348999
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-2-13-19-14-12-16-8-10-17(11-9-16)15-20-18-6-4-3-5-7-18/h8-11,18-19H,2-7,12-15H2,1H3
InChIKeyXDPWDRZDFFLQJS-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.08
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

1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
4-(cyclohexyloxymethyl)benzenethiol
CID 91656879
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
[4-(cycloheptyloxymethyl)phenyl]-trimethylsilane
CID 103438663
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62445186
N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105350841
N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 105349825
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
[4-[2-(propylamino)ethyl]phenyl] cyclobutanecarboxylate
CID 82532826
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine (CID 105348999) is N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(COC2CCCCC2)cc1.
What is the InChIKey of N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is XDPWDRZDFFLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-13-19-14-12-16-8-10-17(11-9-16)15-20-18-6-4-3-5-7-18/h8-11,18-19H,2-7,12-15H2,1H3.
What are the key properties of N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine?
N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105348999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).