1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine

C17H27NO — CID 116506013

IUPAC1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-12-18-17(11-13-19-2)16-9-7-15(8-10-16)14-5-4-6-14/h7-10,14,17-18H,3-6,11-13H2,1-2H3
InChIKeyDYPNTSSHRCSLMO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds8

About 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine

1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 116506013) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
PubChem CID116506013
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-12-18-17(11-13-19-2)16-9-7-15(8-10-16)14-5-4-6-14/h7-10,14,17-18H,3-6,11-13H2,1-2H3
InChIKeyDYPNTSSHRCSLMO-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114
1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116506010
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 116506399
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 116506348
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine (CID 116506013) is 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine is CCCNC(CCOC)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is DYPNTSSHRCSLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-12-18-17(11-13-19-2)16-9-7-15(8-10-16)14-5-4-6-14/h7-10,14,17-18H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine?
1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 116506013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).