1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine

C17H27NO — CID 114521578

IUPAC1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-5-11-18-16(17(2,3)4)13-7-6-8-15(12-13)19-14-9-10-14/h6-8,12,14,16,18H,5,9-11H2,1-4H3
InChIKeyVBZLXLOBNJXLMA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine

1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 114521578) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID114521578
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-5-11-18-16(17(2,3)4)13-7-6-8-15(12-13)19-14-9-10-14/h6-8,12,14,16,18H,5,9-11H2,1-4H3
InChIKeyVBZLXLOBNJXLMA-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114521599
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 114522301
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 114521795
N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114521778
N-[(3-cyclopropyloxyphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105051921

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine (CID 114521578) is 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cccc(OC2CC2)c1)C(C)(C)C.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is VBZLXLOBNJXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-11-18-16(17(2,3)4)13-7-6-8-15(12-13)19-14-9-10-14/h6-8,12,14,16,18H,5,9-11H2,1-4H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 114521578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).