N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine

C18H29NO — CID 83159980

IUPACN-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
SMILESCC(C)(C)NCC(C)(CCOc1ccccc1)C1CC1
InChIInChI=1S/C18H29NO/c1-17(2,3)19-14-18(4,15-10-11-15)12-13-20-16-8-6-5-7-9-16/h5-9,15,19H,10-14H2,1-4H3
InChIKeyQUMUZINUAHNMEV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.26
Rot. Bonds7

About N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine

N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine (PubChem CID 83159980) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
PubChem CID83159980
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
SMILESCC(C)(C)NCC(C)(CCOc1ccccc1)C1CC1
InChIInChI=1S/C18H29NO/c1-17(2,3)19-14-18(4,15-10-11-15)12-13-20-16-8-6-5-7-9-16/h5-9,15,19H,10-14H2,1-4H3
InChIKeyQUMUZINUAHNMEV-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672
2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150034
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
N-tert-butyl-2-cyclopropyl-2,5-dimethylhexan-1-amine
CID 83160438
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
CID 95986154
4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
CID 65089931
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150609

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine (CID 83159980) is N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine is CC(C)(C)NCC(C)(CCOc1ccccc1)C1CC1.
What is the InChIKey of N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine?
The InChIKey is QUMUZINUAHNMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)19-14-18(4,15-10-11-15)12-13-20-16-8-6-5-7-9-16/h5-9,15,19H,10-14H2,1-4H3.
What are the key properties of N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine?
N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine is sourced from PubChem (CID 83159980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).