N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine

C16H24ClNO2 — CID 104665044

IUPACN-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(Cl)cc(CNC(C)(C)C)c1OCC1CC1
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)18-9-12-7-13(17)8-14(19-4)15(12)20-10-11-5-6-11/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyPSLBRCUNFIULDW-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.03
Rot. Bonds6

About N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 104665044) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID104665044
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(Cl)cc(CNC(C)(C)C)c1OCC1CC1
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)18-9-12-7-13(17)8-14(19-4)15(12)20-10-11-5-6-11/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyPSLBRCUNFIULDW-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665060
N-[[5-chloro-2-(cyclopropylmethoxymethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 106929446
N-[(5-chloro-3-methoxy-2-pent-4-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104665073
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
N-[[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664946
N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 115961722
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505
N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine
CID 2238645

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 104665044) is N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1cc(Cl)cc(CNC(C)(C)C)c1OCC1CC1.
What is the InChIKey of N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PSLBRCUNFIULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-16(2,3)18-9-12-7-13(17)8-14(19-4)15(12)20-10-11-5-6-11/h7-8,11,18H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104665044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).