N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine

C18H29NO — CID 63862466

IUPACN-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OC2CCCCC2CC)c1
InChIInChI=1S/C18H29NO/c1-3-12-19-14-15-8-7-10-17(13-15)20-18-11-6-5-9-16(18)4-2/h7-8,10,13,16,18-19H,3-6,9,11-12,14H2,1-2H3
InChIKeyXBPOWIIOTTVGFM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds7

About N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine

N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine (PubChem CID 63862466) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
PubChem CID63862466
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OC2CCCCC2CC)c1
InChIInChI=1S/C18H29NO/c1-3-12-19-14-15-8-7-10-17(13-15)20-18-11-6-5-9-16(18)4-2/h7-8,10,13,16,18-19H,3-6,9,11-12,14H2,1-2H3
InChIKeyXBPOWIIOTTVGFM-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.53
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-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63863940
N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 63863376
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 62292114
[3-(2-ethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 63862168
N-[[3-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-1-amine
CID 54914729
N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034374
N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863196
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine (CID 63862466) is N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine is CCCNCc1cccc(OC2CCCCC2CC)c1.
What is the InChIKey of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine?
The InChIKey is XBPOWIIOTTVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-12-19-14-15-8-7-10-17(13-15)20-18-11-6-5-9-16(18)4-2/h7-8,10,13,16,18-19H,3-6,9,11-12,14H2,1-2H3.
What are the key properties of N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine?
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 63862466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).