N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine

C18H31NO — CID 81021954

IUPACN-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1cccc(C(C)(C)CCNC(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)20-16-10-8-9-15(13-16)18(6,7)11-12-19-17(3,4)5/h8-10,13-14,19H,11-12H2,1-7H3
InChIKeyGAYJRXKVHHYOPI-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds6

About N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine

N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 81021954) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
PubChem CID81021954
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1cccc(C(C)(C)CCNC(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)20-16-10-8-9-15(13-16)18(6,7)11-12-19-17(3,4)5/h8-10,13-14,19H,11-12H2,1-7H3
InChIKeyGAYJRXKVHHYOPI-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81022570
N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81015863
2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 112567781
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
2,2-difluoro-2-(3-propan-2-yloxyphenyl)acetaldehyde
CID 105467397
1-cyclohexyl-1-(3-propan-2-yloxyphenyl)ethanol
CID 114794965
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine (CID 81021954) is N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine is CC(C)Oc1cccc(C(C)(C)CCNC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is GAYJRXKVHHYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)20-16-10-8-9-15(13-16)18(6,7)11-12-19-17(3,4)5/h8-10,13-14,19H,11-12H2,1-7H3.
What are the key properties of N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 81021954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).