(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine

C18H31N3O — CID 67430850

IUPAC(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCCC(C)COc1ccc([C@@H](N)CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H31N3O/c1-4-15(2)14-22-17-7-5-16(6-8-17)18(19)13-21-11-9-20(3)10-12-21/h5-8,15,18H,4,9-14,19H2,1-3H3/t15?,18-/m0/s1
InChIKeyMOEUGRIUWWTZJR-PKHIMPSTSA-N
MW305.47 g/mol
LogP2.36
Rot. Bonds7

About (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine

(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 67430850) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID67430850
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCCC(C)COc1ccc([C@@H](N)CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H31N3O/c1-4-15(2)14-22-17-7-5-16(6-8-17)18(19)13-21-11-9-20(3)10-12-21/h5-8,15,18H,4,9-14,19H2,1-3H3/t15?,18-/m0/s1
InChIKeyMOEUGRIUWWTZJR-PKHIMPSTSA-N
XLogP2.36
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
(2R)-2-amino-2-[4-[(2S)-2-methylbutoxy]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 67429677
2-amino-2-[4-(2-methylbutoxy)phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 67429678
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
1-[4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 82037453
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
3-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 82036982
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16787975

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine (CID 67430850) is (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine is CCC(C)COc1ccc([C@@H](N)CN2CCN(C)CC2)cc1.
What is the InChIKey of (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is MOEUGRIUWWTZJR-PKHIMPSTSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-15(2)14-22-17-7-5-16(6-8-17)18(19)13-21-11-9-20(3)10-12-21/h5-8,15,18H,4,9-14,19H2,1-3H3/t15?,18-/m0/s1.
What are the key properties of (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine?
(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 305.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 67430850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).