N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine

C18H31NO2 — CID 103228933

IUPACN-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCCCCc1ccc(OC(CNC(C)(C)C)COC)cc1
InChIInChI=1S/C18H31NO2/c1-6-7-8-15-9-11-16(12-10-15)21-17(14-20-5)13-19-18(2,3)4/h9-12,17,19H,6-8,13-14H2,1-5H3
InChIKeyMRUMLOLZMGPNFW-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.81
Rot. Bonds9

About N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine

N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine (PubChem CID 103228933) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
PubChem CID103228933
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCCCCc1ccc(OC(CNC(C)(C)C)COC)cc1
InChIInChI=1S/C18H31NO2/c1-6-7-8-15-9-11-16(12-10-15)21-17(14-20-5)13-19-18(2,3)4/h9-12,17,19H,6-8,13-14H2,1-5H3
InChIKeyMRUMLOLZMGPNFW-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 103227736
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
N-(3-methoxy-2-pyridin-3-yloxypropyl)-2-methylpropan-2-amine
CID 103228028
2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 115493375
4-butyl-N-(1-methoxypropan-2-yl)aniline
CID 62536026
N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 177295923
2-[4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]phenoxy]-3-methoxypropan-1-ol
CID 142282233
N-(2-butoxyethyl)-4-butylaniline
CID 63489745

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine (CID 103228933) is N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine is CCCCc1ccc(OC(CNC(C)(C)C)COC)cc1.
What is the InChIKey of N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The InChIKey is MRUMLOLZMGPNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-7-8-15-9-11-16(12-10-15)21-17(14-20-5)13-19-18(2,3)4/h9-12,17,19H,6-8,13-14H2,1-5H3.
What are the key properties of N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103228933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).