1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine

C17H25NO — CID 43768490

IUPAC1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1ccc(CNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-12(2)19-16-9-3-13(4-10-16)11-18-17(14-5-6-14)15-7-8-15/h3-4,9-10,12,14-15,17-18H,5-8,11H2,1-2H3
InChIKeyCJBLTKMWHBADNZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.75
Rot. Bonds7

About 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine

1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine (PubChem CID 43768490) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
PubChem CID43768490
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1ccc(CNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-12(2)19-16-9-3-13(4-10-16)11-18-17(14-5-6-14)15-7-8-15/h3-4,9-10,12,14-15,17-18H,5-8,11H2,1-2H3
InChIKeyCJBLTKMWHBADNZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
N-[(4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415274
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43100411
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine (CID 43768490) is 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine is CC(C)Oc1ccc(CNC(C2CC2)C2CC2)cc1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine?
The InChIKey is CJBLTKMWHBADNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)19-16-9-3-13(4-10-16)11-18-17(14-5-6-14)15-7-8-15/h3-4,9-10,12,14-15,17-18H,5-8,11H2,1-2H3.
What are the key properties of 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine?
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine is sourced from PubChem (CID 43768490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).