N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine

C18H24N2O — CID 62291538

IUPACN-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(OCc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-13(2)19-11-17-14(3)10-15(4)20-18(17)21-12-16-8-6-5-7-9-16/h5-10,13,19H,11-12H2,1-4H3
InChIKeyNBAKFBWSXPNSDW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds6

About N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine

N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine (PubChem CID 62291538) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine
PubChem CID62291538
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(OCc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-13(2)19-11-17-14(3)10-15(4)20-18(17)21-12-16-8-6-5-7-9-16/h5-10,13,19H,11-12H2,1-4H3
InChIKeyNBAKFBWSXPNSDW-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine
CID 55058277
1-[2-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62291859
N-[[4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 66276604
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
[4-(difluoromethoxy)-6-methyl-2-phenylmethoxy-3-pyridinyl]methanamine
CID 139543711
(6-methyl-2-phenylmethoxy-4-propan-2-yloxy-3-pyridinyl)methyl methanesulfonate
CID 121440121
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
(4-butan-2-yloxy-6-methyl-2-phenylmethoxy-3-pyridinyl)methyl methanesulfinate
CID 126599269
2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole
CID 169002843

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine (CID 62291538) is N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine is Cc1cc(C)c(CNC(C)C)c(OCc2ccccc2)n1.
What is the InChIKey of N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is NBAKFBWSXPNSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)19-11-17-14(3)10-15(4)20-18(17)21-12-16-8-6-5-7-9-16/h5-10,13,19H,11-12H2,1-4H3.
What are the key properties of N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine?
N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 62291538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).