2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine

C18H29NO — CID 106930773

IUPAC2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)(COCC1CC1)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-18(13-19-15(2)3,14-20-12-16-10-11-16)17-8-6-5-7-9-17/h5-9,15-16,19H,4,10-14H2,1-3H3
InChIKeyFFEFYOJMKPUAEZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.76
Rot. Bonds9

About 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine

2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine (PubChem CID 106930773) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine
PubChem CID106930773
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)(COCC1CC1)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-18(13-19-15(2)3,14-20-12-16-10-11-16)17-8-6-5-7-9-17/h5-9,15-16,19H,4,10-14H2,1-3H3
InChIKeyFFEFYOJMKPUAEZ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-N-methyl-2-phenylbutan-1-amine
CID 103984577
N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine
CID 103984585
3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79627805
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 63511400
2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol
CID 64804277
2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706027
N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
CID 63508646
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931445
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine (CID 106930773) is 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)(COCC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The InChIKey is FFEFYOJMKPUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-18(13-19-15(2)3,14-20-12-16-10-11-16)17-8-6-5-7-9-17/h5-9,15-16,19H,4,10-14H2,1-3H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine?
2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 106930773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).