N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine

C19H31NO — CID 65013877

IUPACN-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCCC1CC(CNCC(C)C)(c2ccccc2OC)C1
InChIInChI=1S/C19H31NO/c1-5-8-16-11-19(12-16,14-20-13-15(2)3)17-9-6-7-10-18(17)21-4/h6-7,9-10,15-16,20H,5,8,11-14H2,1-4H3
InChIKeyFVHAIAXOEDAJMQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.39
Rot. Bonds8

About N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 65013877) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID65013877
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCCC1CC(CNCC(C)C)(c2ccccc2OC)C1
InChIInChI=1S/C19H31NO/c1-5-8-16-11-19(12-16,14-20-13-15(2)3)17-9-6-7-10-18(17)21-4/h6-7,9-10,15-16,20H,5,8,11-14H2,1-4H3
InChIKeyFVHAIAXOEDAJMQ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
N-[[1-(3-chloro-2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 82791443
N-[[1-(2-chloro-4-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010796
N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998152
N-[[1-(2-chloro-6-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013581
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65013584
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65013702
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013802
N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353202
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine (CID 65013877) is N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine is CCCC1CC(CNCC(C)C)(c2ccccc2OC)C1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FVHAIAXOEDAJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-8-16-11-19(12-16,14-20-13-15(2)3)17-9-6-7-10-18(17)21-4/h6-7,9-10,15-16,20H,5,8,11-14H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65013877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).