N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine

C16H25NO — CID 102940521

IUPACN-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)COCc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(2,12-17-15-9-10-15)13-18-11-14-7-5-4-6-8-14/h4-8,15,17H,3,9-13H2,1-2H3
InChIKeyHWZLQIAPPFKUNR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds8

About N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine

N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine (PubChem CID 102940521) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
PubChem CID102940521
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)COCc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(2,12-17-15-9-10-15)13-18-11-14-7-5-4-6-8-14/h4-8,15,17H,3,9-13H2,1-2H3
InChIKeyHWZLQIAPPFKUNR-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940634
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940499
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
N-[2-methyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509358
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine (CID 102940521) is N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine is CCC(C)(CNC1CC1)COCc1ccccc1.
What is the InChIKey of N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
The InChIKey is HWZLQIAPPFKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(2,12-17-15-9-10-15)13-18-11-14-7-5-4-6-8-14/h4-8,15,17H,3,9-13H2,1-2H3.
What are the key properties of N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine is sourced from PubChem (CID 102940521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).