N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine

C17H27NO — CID 103903827

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1(CCOC)CC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-7-16(15-8-5-4-6-9-15)18-14-17(10-11-17)12-13-19-2/h4-6,8-9,16,18H,3,7,10-14H2,1-2H3
InChIKeyLKKOHTZLXBKXHQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds9

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine (PubChem CID 103903827) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
PubChem CID103903827
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1(CCOC)CC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-7-16(15-8-5-4-6-9-15)18-14-17(10-11-17)12-13-19-2/h4-6,8-9,16,18H,3,7,10-14H2,1-2H3
InChIKeyLKKOHTZLXBKXHQ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
CID 113368973
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-naphthalen-2-ylethanamine
CID 103903949
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 103904006
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869
[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol
CID 103965824
N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
CID 63824425
N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
CID 103903900

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine (CID 103903827) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine is CCCC(NCC1(CCOC)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine?
The InChIKey is LKKOHTZLXBKXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-7-16(15-8-5-4-6-9-15)18-14-17(10-11-17)12-13-19-2/h4-6,8-9,16,18H,3,7,10-14H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 103903827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).