1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine

C18H30N2O — CID 82925713

IUPAC1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
SMILESCCC(CC)COc1ccc(N2CCCC(N)C2)cc1C
InChIInChI=1S/C18H30N2O/c1-4-15(5-2)13-21-18-9-8-17(11-14(18)3)20-10-6-7-16(19)12-20/h8-9,11,15-16H,4-7,10,12-13,19H2,1-3H3
InChIKeyREWJWCWVKYCTAV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine

1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine (PubChem CID 82925713) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
PubChem CID82925713
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
SMILESCCC(CC)COc1ccc(N2CCCC(N)C2)cc1C
InChIInChI=1S/C18H30N2O/c1-4-15(5-2)13-21-18-9-8-17(11-14(18)3)20-10-6-7-16(19)12-20/h8-9,11,15-16H,4-7,10,12-13,19H2,1-3H3
InChIKeyREWJWCWVKYCTAV-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
CID 63214611
1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
CID 65461452
1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
CID 65180462
1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine
CID 55162884
1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine
CID 63937111
1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
CID 63564203
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
1-[2-methyl-4-(2-methylpentoxy)phenyl]piperidin-3-amine
CID 83138008
1-(4-methylphenyl)azepan-3-amine
CID 84672656

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine?
The IUPAC name of 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine (CID 82925713) is 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine?
The canonical SMILES for 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine is CCC(CC)COc1ccc(N2CCCC(N)C2)cc1C.
What is the InChIKey of 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine?
The InChIKey is REWJWCWVKYCTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-15(5-2)13-21-18-9-8-17(11-14(18)3)20-10-6-7-16(19)12-20/h8-9,11,15-16H,4-7,10,12-13,19H2,1-3H3.
What are the key properties of 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine?
1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine is sourced from PubChem (CID 82925713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).