N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine

C17H27NO — CID 102940634

IUPACN-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)COCc1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)17(3,12-18-16-9-10-16)13-19-11-15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3
InChIKeyQRRKAQTVVLJFEG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.62
Rot. Bonds8

About N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine

N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine (PubChem CID 102940634) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
PubChem CID102940634
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)COCc1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)17(3,12-18-16-9-10-16)13-19-11-15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3
InChIKeyQRRKAQTVVLJFEG-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940521
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
CID 103036979
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
The IUPAC name of N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine (CID 102940634) is N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)COCc1ccccc1.
What is the InChIKey of N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
The InChIKey is QRRKAQTVVLJFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)17(3,12-18-16-9-10-16)13-19-11-15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3.
What are the key properties of N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine?
N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine is sourced from PubChem (CID 102940634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).