N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine

C17H27NO — CID 64508402

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H27NO/c1-5-6-8-13(2)18-12-15-10-7-9-14-11-17(3,4)19-16(14)15/h7,9-10,13,18H,5-6,8,11-12H2,1-4H3
InChIKeyZXHZGPSSLFCMRU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.07
Rot. Bonds6

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine (PubChem CID 64508402) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine
PubChem CID64508402
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H27NO/c1-5-6-8-13(2)18-12-15-10-7-9-14-11-17(3,4)19-16(14)15/h7,9-10,13,18H,5-6,8,11-12H2,1-4H3
InChIKeyZXHZGPSSLFCMRU-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 64508400
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-thiophen-3-ylethanamine
CID 64508623
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 64507036
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
CID 64865774
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64509268
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731540
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 64508823
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine (CID 64508402) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine is CCCCC(C)NCc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine?
The InChIKey is ZXHZGPSSLFCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-6-8-13(2)18-12-15-10-7-9-14-11-17(3,4)19-16(14)15/h7,9-10,13,18H,5-6,8,11-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine is sourced from PubChem (CID 64508402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).