N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine

C19H31NO2 — CID 112839371

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2cccc(OCCOC)c2)CC1
InChIInChI=1S/C19H31NO2/c1-3-5-16-8-10-18(11-9-16)20-15-17-6-4-7-19(14-17)22-13-12-21-2/h4,6-7,14,16,18,20H,3,5,8-13,15H2,1-2H3
InChIKeyKPWGGROYMFGFLD-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.16
Rot. Bonds9

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine

N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine (PubChem CID 112839371) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
PubChem CID112839371
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2cccc(OCCOC)c2)CC1
InChIInChI=1S/C19H31NO2/c1-3-5-16-8-10-18(11-9-16)20-15-17-6-4-7-19(14-17)22-13-12-21-2/h4,6-7,14,16,18,20H,3,5,8-13,15H2,1-2H3
InChIKeyKPWGGROYMFGFLD-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine (CID 112839371) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2cccc(OCCOC)c2)CC1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is KPWGGROYMFGFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-5-16-8-10-18(11-9-16)20-15-17-6-4-7-19(14-17)22-13-12-21-2/h4,6-7,14,16,18,20H,3,5,8-13,15H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 112839371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).