N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine

C18H31NO — CID 105350633

IUPACN-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
SMILESCCC(C)OCc1ccc(C(C)CNC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-15(3)20-13-16-8-10-17(11-9-16)14(2)12-19-18(4,5)6/h8-11,14-15,19H,7,12-13H2,1-6H3
InChIKeyKUQWQCZHWZNDFS-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds7

About N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine

N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine (PubChem CID 105350633) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
PubChem CID105350633
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
SMILESCCC(C)OCc1ccc(C(C)CNC(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-15(3)20-13-16-8-10-17(11-9-16)14(2)12-19-18(4,5)6/h8-11,14-15,19H,7,12-13H2,1-6H3
InChIKeyKUQWQCZHWZNDFS-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105346468
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
N-[4-(butan-2-yloxymethyl)phenyl]formamide
CID 123995408
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351077
N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
butan-2-yloxymethylbenzene;ethane
CID 161043537
N-[[6-(butan-2-yloxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908055

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine (CID 105350633) is N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine is CCC(C)OCc1ccc(C(C)CNC(C)(C)C)cc1.
What is the InChIKey of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine?
The InChIKey is KUQWQCZHWZNDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-15(3)20-13-16-8-10-17(11-9-16)14(2)12-19-18(4,5)6/h8-11,14-15,19H,7,12-13H2,1-6H3.
What are the key properties of N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine?
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105350633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).