N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine

C17H27NO3 — CID 106929288

IUPACN-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)cc1OCOCC1CC1
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-14-7-8-15(19-4)16(9-14)21-12-20-11-13-5-6-13/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyYZQWZSIVXUVMQB-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.35
Rot. Bonds8

About N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 106929288) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID106929288
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)cc1OCOCC1CC1
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-14-7-8-15(19-4)16(9-14)21-12-20-11-13-5-6-13/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyYZQWZSIVXUVMQB-UHFFFAOYSA-N
XLogP3.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[[4-(cyclopropylmethoxymethoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 106929132
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 106929200
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 106929288) is N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1ccc(CNC(C)(C)C)cc1OCOCC1CC1.
What is the InChIKey of N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YZQWZSIVXUVMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)18-10-14-7-8-15(19-4)16(9-14)21-12-20-11-13-5-6-13/h7-9,13,18H,5-6,10-12H2,1-4H3.
What are the key properties of N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxymethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106929288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).