N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

C19H23IN2O — CID 135164752

IUPACN-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
SMILESIc1ccc(COc2cccc(CNCC3CCNC3)c2)cc1
InChIInChI=1S/C19H23IN2O/c20-18-6-4-15(5-7-18)14-23-19-3-1-2-16(10-19)11-22-13-17-8-9-21-12-17/h1-7,10,17,21-22H,8-9,11-14H2
InChIKeyUIIUEBBBILAOBX-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.57
Rot. Bonds7

About N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 135164752) has the molecular formula C19H23IN2O and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID135164752
Molecular FormulaC19H23IN2O
Molecular Weight422.31 g/mol
Exact Mass422.09
IUPAC NameN-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
SMILESIc1ccc(COc2cccc(CNCC3CCNC3)c2)cc1
InChIInChI=1S/C19H23IN2O/c20-18-6-4-15(5-7-18)14-23-19-3-1-2-16(10-19)11-22-13-17-8-9-21-12-17/h1-7,10,17,21-22H,8-9,11-14H2
InChIKeyUIIUEBBBILAOBX-UHFFFAOYSA-N
XLogP3.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17151664
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
1-(azetidin-3-yl)-N-[[3-[(2-bromo-3-pyridinyl)methoxy]phenyl]methyl]methanamine
CID 135164649
N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 155958402
1-(azetidin-3-yl)-N-[[3-[(4-tert-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine
CID 135164809
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine
CID 135174192
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine (CID 135164752) is N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine is Ic1ccc(COc2cccc(CNCC3CCNC3)c2)cc1.
What is the InChIKey of N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is UIIUEBBBILAOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O/c20-18-6-4-15(5-7-18)14-23-19-3-1-2-16(10-19)11-22-13-17-8-9-21-12-17/h1-7,10,17,21-22H,8-9,11-14H2.
What are the key properties of N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine?
N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 422.31 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 135164752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).