1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine

C18H29NO2 — CID 103136573

IUPAC1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)c(OCC2CCC(C)O2)c(C)c1
InChIInChI=1S/C18H29NO2/c1-5-16(19)10-15-8-12(2)18(13(3)9-15)20-11-17-7-6-14(4)21-17/h8-9,14,16-17H,5-7,10-11,19H2,1-4H3
InChIKeyQFLTZGXBACMDET-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.53
Rot. Bonds6

About 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine

1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 103136573) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID103136573
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)c(OCC2CCC(C)O2)c(C)c1
InChIInChI=1S/C18H29NO2/c1-5-16(19)10-15-8-12(2)18(13(3)9-15)20-11-17-7-6-14(4)21-17/h8-9,14,16-17H,5-7,10-11,19H2,1-4H3
InChIKeyQFLTZGXBACMDET-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136595
1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136601
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136586
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
CID 80695276
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]acetonitrile
CID 54930389
1-(4-but-2-ynoxy-3,5-dimethylphenyl)butan-2-amine
CID 62311991
4-[4-(2-aminobutyl)-2,6-dimethylphenoxy]butanenitrile
CID 54930345
3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60907942
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine (CID 103136573) is 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(C)c(OCC2CCC(C)O2)c(C)c1.
What is the InChIKey of 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is QFLTZGXBACMDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-16(19)10-15-8-12(2)18(13(3)9-15)20-11-17-7-6-14(4)21-17/h8-9,14,16-17H,5-7,10-11,19H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine?
1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 103136573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).